PRODUCT NAME | CAS Registry Number |
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IUPAC Name: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone;methanesulfonic acid | CAS Registry Number: 869369-26-6
Synonyms: UNII-5PW9W9T6HK, 5PW9W9T6HK, R-547 mesylate, RG-547 mesylate, RO-4584820 mesylate, 4-Piperidinamine, N-(4-amino-5-(2,3-difluoro-6-methoxybenzoyl)-2-pyrimidinyl)-1-(methylsulfonyl)-, monomethanesulfonate, Methanone, (4-amino-2-((1-(methylsulfonyl)-4-piperidinyl)amino)-5-pyrimidinyl)(2,3-difluoro-6-methoxyphenyl)-, methanesulfonate (1:1)
Molecular Formula: | C19H25F2N5O7S2 | Molecular Weight: | 537.557906 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 14 |
InChIKey: BUYYGASGVDVCPU-UHFFFAOYSA-N
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(8 suppliers)
IUPAC Name: 3-(5-methyl-1-phenylmethoxycarbonylindol-3-yl)-2-[(2-phenoxybenzoyl)amino]propanoic acid | CAS Registry Number: 753504-14-2
Synonyms: 5-Methyl-N-(2-phenoxybenzoyl)-1-[(phenylmethoxy)carbonyl]-D/L-tryptophan, AGN-PC-00SMAK, AC1Q2N3Y, R7529_SIGMA, CTK8E7428, NCGC00165881-01, 3-(5-methyl-1-phenylmethoxycarbonylindol-3-yl)-2-[(2-phenoxybenzoyl)amino]propanoic acid, 3-[5-methyl-1-(phenylmethoxycarbonyl)indol-3-yl]-2-[[2-(phenoxy)benzoyl]amino]propanoic acid
Molecular Formula: | C33H28N2O6 | Molecular Weight: | 548.585220 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 6 |
InChIKey: FHNQOOZTZWBWQO-UHFFFAOYSA-N
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(4 suppliers)
IUPAC Name: 2-nitrobenzo[e][1]benzofuran | CAS Registry Number: 69267-51-2
Synonyms: 2-Nitronaphtho(2,1-b)furan, 2-Nitro-naphtho[2,1-b]furan, CHEBI:101809, NSC329124, NSC 329124, CID50354, BRN 1376274, NAPHTHO(2,1-b)FURAN, 2-NITRO-, R6597, LS-95321, R 6597, 5-17-02-00234 (Beilstein Handbook Reference)
Molecular Formula: | C12H7NO3 | Molecular Weight: | 213.188880 [g/mol] | H-Bond Donor: | 0 | H-Bond Acceptor: | 3 |
InChIKey: HXRMBVOCHDEAQH-UHFFFAOYSA-N
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Synonyms: TIBO analog, CHEBI:385173, AIDS000541, AIDS-000541, CID451621, R-80902, (S)-7-Allyl-8-methyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulen-1-one, (+)-(S)-4,5,6,7-Tetrahydro-5-methyl-6-(2-propenyl)-imidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(1H)-one, (+)-(S)-4,5,6,7-Tetrahydro-5-methyl-6-(2-propenyl)-imidazo-[4,5,1-jk][1,4]-benzodiazepin-2(1H)-one
Molecular Formula: | C14H17N3O | Molecular Weight: | 243.304280 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 2 |
InChIKey: OYQVBYVHKBMZGU-JTQLQIEISA-N
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(15 suppliers)
IUPAC Name: disodium;[6-[[5-fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]-2,2-dimethyl-3-oxopyrido[3,2-b][1,4]oxazin-4-yl]methyl phosphate | CAS Registry Number: 1025687-58-4
Synonyms: Fostamatinib disodium, R 788 sodium, R788, 1025687-58-4, Fostamatinib disodium, R935788, R 935788 sodium, R788, FosD, tamatinib fosdium, R-935788, S2206_Selleck, R-788 Sodium, R-935788 Sodium, cc-28, SureCN3657651, Fostamatinib disodium anhydrous, CHEMBL2105644, MolPort-016-633-314, UNII-X9417132K8, R935788 - Fostamatinib disodium, R788-Supplied by Selleck Chemicals, ABP000970, RL00119
Molecular Formula: | C23H24FN6Na2O9P | Molecular Weight: | 624.423164 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 15 |
InChIKey: HSYBQXDGYCYSGA-UHFFFAOYSA-L
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(3 suppliers)
IUPAC Name: (2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2R)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoic acid | CAS Registry Number: 2305815-72-7
Synonyms: AKOS024458239
Molecular Formula: | C111H211N59O26S | Molecular Weight: | 2820.300 [g/mol] | H-Bond Donor: | 61 | H-Bond Acceptor: | 41 |
InChIKey: AIRNEKGCZRAELC-NBQUZRIMSA-N
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(2 suppliers)
Synonyms: TIBO deriv., AIDS025468, AIDS028045, AIDS-025468, AIDS-028045, CID460483, (+)-(S)-4,5,6,7-Tetrahydro-5-methyl-9-methyl-imdazo[4,5,1-jk][1,4]benzodiazepin-2(1H)-one, (+-)-9-Methyl-4,5,6,7-tetrahydro-5-methyl-6-(3-ethyl-2-pentenyl)imidazo-(4,5,1-jk)(1,4)-benzodiazepin-2(IH)-one, (+/-)-9-Methyl-4,5,6,7-tetrahydro-5-methyl-6-(3-ethyl-2-pentenyl)imidazo-[4,5,1-jk][1,4]- benzodiazepin-2(IH)-one
Molecular Formula: | C19H27N3O | Molecular Weight: | 313.437180 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 2 |
InChIKey: FRQXZJLDAFHXAZ-UHFFFAOYSA-N
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IUPAC Name: 3-~{N}-[4-[4-[(2~{S})-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]phenyl]-1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazole-3,5-diamine | CAS Registry Number: 1037798-41-6
Molecular Formula: | C26H30ClN9S | Molecular Weight: | 536.099 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 9 |
InChIKey: HLRDOMFIYHUBLJ-UHYCVJNDSA-N
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IUPAC Name: 2-[(2,6-dimorpholin-4-ylpyrimido[5,4-d]pyrimidin-4-yl)-methylamino]ethanol | CAS Registry Number: 13665-55-9
Synonyms: CID166875, RA-255, 2-((2,6-Di-4-morpholinylpyrimido(5,4-d)pyrimidin-4-yl)methylamino)ethanol, 2-(2,6-Dimorpholinopyrimido(5,4-d)pyrimidin-4-yl)methyliminoethanol
Molecular Formula: | C17H25N7O3 | Molecular Weight: | 375.425500 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 10 |
InChIKey: ZYBHJQANFJLOJW-UHFFFAOYSA-N
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IUPAC Name: 1-(1,3-dimethylbenzimidazol-2-ylidene)ethyl-oxoazanium iodide | CAS Registry Number: 66168-48-7
Synonyms: CID5745995, 1-Methyl-2-acetylbenzimidazole oxime methiodide, LS-33261, 2-Acetyl-1,3-dimethylbenzimidazolium iodide oxime, Benzimidazolium, 2-acetyl-1,3-dimethyl-, iodide, oxime
Molecular Formula: | C11H14IN3O | Molecular Weight: | 331.152830 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 4 |
InChIKey: NQWLIOYERSHJCB-UHFFFAOYSA-N
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IUPAC Name: N'-hydroxy-2-oxo-2-phenylethanimidamide | CAS Registry Number: 107535-24-0
Synonyms: NSC117770, aminohydroxyiminomethylphenylketone, NSC-117770
Molecular Formula: | C8H8N2O2 | Molecular Weight: | 164.164 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 3 |
InChIKey: VPKHPBNAVHQDCM-UHFFFAOYSA-N
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(4 suppliers)
IUPAC Name: 2-[[4,8-bis(diethylamino)-2-[2-hydroxyethyl(2-methoxyethyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]-(2-methoxyethyl)amino]ethanol | CAS Registry Number: 54093-30-0
Synonyms: RA 642BS, RXRA 642, RA-642, C24H44N8O4, CID124165, LS-66492, 2,2'-((4,8-Bis(diethylamino)pyrimido(5,4-d)pyrimidine-2,6-diyl)bis((2-methoxyethyl)imino))bisethanol, Ethanol, 2,2'-((4,8-bis(diethylamino)pyrimido(5,4-d)pyrimidine-2,6-diyl)bis((2-methoxyethyl)imino))bis-, (2,2'-(4,8-bis(diethylamino)pyrimido(5,4-d)pyrimidine-2,6-diyl)di(2-methoxyethyl)imino)diethanol
Molecular Formula: | C24H44N8O4 | Molecular Weight: | 508.657360 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 12 |
InChIKey: ROFXYKJBKWRUBS-UHFFFAOYSA-N
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(8 suppliers)
IUPAC Name: (3~{S})-1-[4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]naphthalen-1-yl]pyrrolidine-3-carboxylic acid | CAS Registry Number: 1832713-02-6
Synonyms: CHEMBL3899754, SCHEMBL17599491, BVYWIQHJXAEJOD-IBGZPJMESA-N, MolPort-042-624-556, BDBM50200467, AKOS027470264, ZINC263620292, (3s)-1-(4-{[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}naphthalen-1-Yl)pyrrolidine-3-Carboxylic Acid, (3S)-1-[4-[[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino]-1-naphthalenyl]-3-pyrrolidinecarboxylic acid, 51M
Molecular Formula: | C25H28N2O4S | Molecular Weight: | 452.569 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 6 |
InChIKey: BVYWIQHJXAEJOD-IBGZPJMESA-N
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Synonyms: Methylether of TPC-A, MBQKTLYFUYNAPZ-FEZMQHRXSA-, CHEBI:164194, CID3034401, LS-45185, [N-alkyl-Ala2]RA-VII, cyclic hexapeptide derivative, 6-(3-Hydroxy-N,O-dimethyl-L-tyrosine)-5-(N-methyl-L-tyrosine)bouvardin, Bouvardin, 6-(3-hydroxy-N,O-dimethyl-L-tyrosine)-5-(N-methyl-L-tyrosine)-, (1S,4R,7S,10S,13S,16S)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2^{18,21}.1^{23,27}]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone, 24-methoxy-10-(4-methoxybenzyl)-4,7,9,13,15,29-hexamethyl-(1S,4R,7S,10S,13S,16S)-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(33),31-hexaene-2,5,8,11,14,30-hexaone, InChI=1/C41H50N6O9/c1-23-36(48)43-24(2)39(51)45(4)31(19-26-9-14-29(54-7)15-10-26)38(50)44-25(3)40(52)47(6)33-20-27-11-16-30(17-12-27)56-35-22-28(13-18-34(35)55-8)21-32(37(49)42-23)46(5)41(33)53/h9-18,22-25,31-33H,19-21H2,1-8H3,(H,42,49)(H,43,48)(H,44,50)/, na
Molecular Formula: | C41H50N6O9 | Molecular Weight: | 770.870500 [g/mol] | H-Bond Donor: | 3 | H-Bond Acceptor: | 9 |
InChIKey: MBQKTLYFUYNAPZ-FEZMQHRXSA-N
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(4 suppliers)
IUPAC Name: (2S)-N-[(E,2S,4S,7S)-7-[[(2R)-2-aminopropanoyl]amino]-4-formyl-5-(3-hydroxy-4-methoxyphenyl)-2-[[(Z)-3-(4-methoxyphenyl)-2-(methylamino)prop-2-enoyl]amino]-3,6,10-trioxodec-8-en-4-yl]-3-(4-hydroxyphenyl)-N-methyl-2-(methylamino)propanamide | CAS Registry Number: 140679-94-3
Synonyms: RA X Peptide, RA-X, CID6444175
Molecular Formula: | C43H52N6O11 | Molecular Weight: | 828.906580 [g/mol] | H-Bond Donor: | 7 | H-Bond Acceptor: | 14 |
InChIKey: BNAKNBRLTYXQLE-VTENTOHYSA-N
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(3 suppliers)
Synonyms: RA-XII, MolPort-021-804-774, MCULE-6462779334, NCGC00384826-01, NCGC00384826-01_C46H58N6O14_(1S,4R,7S,10S,13S,16S)-10-(4-Methoxybenzyl)-4,7,9,13,15,29-hexamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-18,20,23(31),24,26,32-hexaen-24-yl beta-D-glucopyranoside
Molecular Formula: | C46H58N6O14 | Molecular Weight: | 918.998 [g/mol] | H-Bond Donor: | 7 | H-Bond Acceptor: | 14 |
InChIKey: UYXWCWJRGWWTGU-UHFFFAOYSA-N
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IUPAC Name: [3-[(3-fluoro-4-hydroxybenzoyl)oxymethyl]phenyl]methyl 3-fluoro-4-hydroxybenzoate | CAS Registry Number: 1867107-62-7
Synonyms: 1,3-Phenylenebis(methylene) bis(3-fluoro-4-hydroxybenzoate), GTPL9317, ZINC526061666, RA-2, >=98% (HPLC), [3-[(3-fluoro-4-hydroxybenzoyl)oxymethyl]phenyl]methyl 3-fluoro-4-hydroxybenzoate, {3-[(3-fluoro-4-hydroxybenzoyloxy)methyl]phenyl}methyl 3-fluoro-4-hydroxybenzoate
Molecular Formula: | C22H16F2O6 | Molecular Weight: | 414.400 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 8 |
InChIKey: XOZKRECPKXTNAK-UHFFFAOYSA-N
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Synonyms: ZINC95914901
Molecular Formula: | C42H50N6O11 | Molecular Weight: | 814.893 [g/mol] | H-Bond Donor: | 5 | H-Bond Acceptor: | 11 |
InChIKey: JYSZOVOBXGDGIQ-YQPHQQCRSA-N
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IUPAC Name: (3Z)-1-[(2S)-2-amino-3-phenylpropanoyl]-3,5-bis[(3,4-dichlorophenyl)methylidene]piperidin-4-one;hydrochloride | CAS Registry Number: 1617495-03-0
Molecular Formula: | C28H23Cl5N2O2 | Molecular Weight: | 596.754 [g/mol] | H-Bond Donor: | 2 | H-Bond Acceptor: | 3 |
InChIKey: UMWXLEVUBFNYIK-JMCQXACJSA-N
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IUPAC Name: N-[(2S)-1-[(3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxopiperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2-chloroacetamide | CAS Registry Number: 2649154-57-2
Synonyms: SCHEMBL25003481, AKOS040755513, MS-30512, HY-136563, CS-0131470, G18462, N-((S)-1-((3E,5E)-3,5-Bis(4-Nitrobenzylidene)-4-oxopiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl)-2-chloroacetamide
Molecular Formula: | C30H25ClN4O7 | Molecular Weight: | 589.000 [g/mol] | H-Bond Donor: | 1 | H-Bond Acceptor: | 7 |
InChIKey: REFAVUFYPFWJGH-SWAPHQFDSA-N
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