产品名称

英文名称：DCC-2036 (Rebastinib)

同义词

REBASTINIB、1020172-07-9、DCC-2036、DCC-2036 (Rebastinib)、DCC 2036、4-(4-(3-(3-(tert-butyl)-1-(quinolin-6-yl)-1H-pyrazol-5-yl)ureido)-3-fluorophenoxy)-N-methylpicolinamide、DCC2036、Rebastinib [USAN]、CHEBI62166、DP-1919、DCC-2036 FREE BASE、N-[3-tert-Butyl-1-(qui

产品性质

CAS编号：1020172-07-9

分子式：C30H28FN7O3

分子量：553.59

PubChem编号：25066467

英文别名：REBASTINIB|1020172-07-9|DCC-2036|DCC-2036 (Rebastinib)|DCC 2036|4-(4-(3-(3-(tert-butyl)-1-(quinolin-6-yl)-1H-pyrazol-5-yl)ureido)-3-fluorophenoxy)-N-methylpicolinamide|DCC2036|Rebastinib [USAN]|CHEBI62166|DP-1919|DCC-2036 FREE BASE|N-[3-tert-Butyl-1-(qui

规格或纯度：98%

英文名称：DCC-2036 (Rebastinib)

生化机理：The lead "switch-control" inhibitor, DCC-2036, potently inhibits both unphosphorylated and phosphorylated ABL1 by inducing a type II inactive conformation, and retains efficacy against the majority of clinically relevant CML-resistance mutants, including T315I. DCC-2036 inhibits autophosphorylation of ABL and ABLT315I enzymes, and this activity was consistent with selective efficacy against Ba/F3 cells expressing BCR-ABL (IC50 19 nmol/L), BCR-ABLT315I (IC50 63 nmol/L), and most kinase domain mutants. These findings support continued evaluation of DCC-2036 as an important new agent for treatment-refractory CML.

储存温度：-20°C储存

运输条件：超低温冰袋运输

ALogP：4.9

IUPAC Name：4-[4-[(5-tert-butyl-2-quinolin-6-ylpyrazol-3-yl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide

INCHI：InChI=1S/C30H28FN7O3/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4/h5-17H,1-4H3,(H,32,39)(H2,35,36,40)

InChi Key：WVXNSAVVKYZVOE-UHFFFAOYSA-N

Canonical SMILES：CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)F)C4=CC5=C(C=C4)N=CC=C5

Isomeric SMILES：CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)F)C4=CC5=C(C=C4)N=CC=C5

PubChem CID：25066467

ChEMBL Ligand：CHEMBL1738757

CAS Registry No.：1020172-07-9

RCSB PDB Ligand：919

溶解性：DMSO 111 mg/mL Water <1 mg/mL Ethanol 16 mg/mL

产品包装