Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05CQS
|
|||
| Former ID |
DNC000994
|
|||
| Drug Name |
NB1011
|
|||
| Synonyms |
Thymectacin; BVDU prodrug; NB1011; UNII-2ZRZ4TSW3F; 2ZRZ4TSW3F; 5-(2-Bromovinyl)-2'-deoxy-5'-uridyl-phenyl-alanylphosphoramidate, trans-; (E)-5-(2-Bromovinyl)-2'-deoxy-5'-uridyl phenyl L-methoxyalaninylphosphoramidate; L-Alanine, N-(5-((1E)-2-bromoethenyl)-2'-deoxy-P-phenyl-5'-uridylyl)-, methyl ester; E-5-(2-bromovinyl)-2'-deoxyuridine-5'-(L-methylalaninyl)-phenylphosphoramidate; 232925-18-7; Brivudine phosphoramidate; AC1O5U63; SCHEMBL13904642; DTXSID00177862; NB-1011; NB 1011; DB05116; LS-181955; J3.616.614B; methyl (2S)-2
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Breast cancer [ICD-11: 2C60-2C65] | Phase 1/2 | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C21H25BrN3O9P
|
|||
| Canonical SMILES |
CC(C(=O)OC)NP(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C=CBr)O)OC3=CC=CC=C3
|
|||
| InChI |
1S/C21H25BrN3O9P/c1-13(20(28)31-2)24-35(30,34-15-6-4-3-5-7-15)32-12-17-16(26)10-18(33-17)25-11-14(8-9-22)19(27)23-21(25)29/h3-9,11,13,16-18,26H,10,12H2,1-2H3,(H,24,30)(H,23,27,29)/b9-8+/t13-,16-,17+,18+,35?/m0/s1
|
|||
| InChIKey |
CFBLUORPOFELCE-BACVZHSASA-N
|
|||
| CAS Number |
CAS 232925-18-7
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | ClinicalTrials.gov (NCT00248404) NB1011 Administered by Continuous Infusion in Cancers That Overexpress Thymidylate Synthase (TS). U.S. National Institutes of Health. | |||
| REF 2 | Kinetic properties of human thymidylate synthase, an anticancer drug target. Biochem Biophys Res Commun. 2003 Jul 25;307(2):297-300. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.