
CAS Number1260251-31-7
SynonymsBirinapant [USAN]; TL32711; Birinapant (USAN/INN); T56 BMJ HF C1- BT5NTJ AVY2&MVY1&M1 DQ& C- CT56 BMJ HF D1- BT5NTJ AVY2&MVY1&M1 DQ &&Stereoisomer; Birinapant
Molecular FormulaC42H56O6N8F2
Molecular Weight806.95
Density1.3±0.1 g/cm3
Boiling Point1090.5±65.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1260251-31-7 |
| Catalog No. | 2A-1194872 |
| Chinese Name | 比瑞那帕 |
| Synonyms | Birinapant [USAN]; TL32711; Birinapant (USAN/INN); T56 BMJ HF C1- BT5NTJ AVY2&MVY1&M1 DQ& C- CT56 BMJ HF D1- BT5NTJ AVY2&MVY1&M1 DQ &&Stereoisomer; Birinapant |
| Molecular Formula | C42H56O6N8F2 |
| Molecular Weight | 806.95 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 1090.5±65.0 °C at 760 mmHg |
| Storage Condition | room temperature |
| Application | Birinapant is a bivalent Smac mimetic and a potent antagonist of XIAP and cIAP1 with Kd values of 45 nM and less than 1 nM, respectively. |
| HTC | 29339900 |
| PubChem ID | 85376749 |
| MDL Number | MFCD25976869 |
| SMILES | CCC(NC(=O)C(C)NC)C(=O)N1CC(O)CC1Cc1c(-c2[nH]c3cc(F)ccc3c2CC2CC(O)CN2C(=O)C(CC)NC(=O)C(C)NC)[nH]c2cc(F)ccc12 |
| InChI | InChI=1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1 |
| InChI Key | PKWRMUKBEYJEIX-DXXQBUJASA-N |
| MSDS | msds/196540_1_1260251_31_7.pdf |
| Transport Info | Product Name: Birinapant |
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