Details of the Drug

General Information of Drug (ID: DMBVM01)

Drug Name

S-1

Synonyms

Ciprofibrate-coa; Ciprofibrate-coenzyme A; Coenzyme A, ciprofibrate-; AC1L4TRG; AC1Q3T4H; 111900-25-5; s-{1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3; E5,5; E5-diphosphaheptadecan-17-yl} 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanethioate(non-preferred name); Coenzyme A, S-(2-(4-(2,2-dichlorocyclopropyl)phenoxy)-2-methylpropanoate)

Indication

Disease Entry	ICD 11	Status	REF
Gastric adenocarcinoma	2B72	Phase 3	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C34H48Cl2N7O18P3S
Canonical SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)C(C)(C)OC4=CC=C(C=C4)C5CC5(Cl)Cl)O
InChI: 1S/C34H48Cl2N7O18P3S/c1-32(2,26(46)29(47)39-10-9-22(44)38-11-12-65-31(48)33(3,4)59-19-7-5-18(6-8-19)20-13-34(20,35)36)15-57-64(54,55)61-63(52,53)56-14-21-25(60-62(49,50)51)24(45)30(58-21)43-17-42-23-27(37)40-16-41-28(23)43/h5-8,16-17,20-21,24-26,30,45-46H,9-15H2,1-4H3,(H,38,44)(H,39,47)(H,52,53)(H,54,55)(H2,37,40,41)(H2,49,50,51)/t20?,21-,24-,25-,26?,30-/m1/s1
InChIKey: AAHIMGZVACZGCQ-NKXYKTLRSA-N

Cross-matching ID

PubChem CID: 163872
CAS Number: 111900-25-5
TTD ID: D0S8LJ

References

1	Clinical pipeline report, company report or official report of Taiho Pharma U.S.A.