Birinapant structure, CAS 1260251-31-7

Birinapant

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

Purity

Density1.3±0.1 g/cm3

Boiling Point1090.5±65.0 °C at 760 mmHg

Melting Point

Flash Point

Appearance

EINECS

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Symbol

Signal Word

Cat. No.: 2A-1194872 Purity:
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Quality Control of [ 1260251-31-7 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number1260251-31-7
Catalog No.2A-1194872
Chinese Name比瑞那帕
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
Storage Conditionroom temperature
ApplicationBirinapant 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.
HTC29339900
PubChem ID85376749
MDL NumberMFCD25976869
SMILESCCC(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
InChIInChI=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 KeyPKWRMUKBEYJEIX-DXXQBUJASA-N
MSDSmsds/196540_1_1260251_31_7.pdf
Transport InfoProduct Name: Birinapant
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