CRT0273750

COA

级别和纯度:

≥98%

CAS编号: 1979939-16-6
分子式: C₂₅H₂₂ClF₃N₄O₂
分子量: 502.92
PubChem编号: 122199235

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货号 (SKU)	包装规格	是否现货
C647993-1mg	1mg	期货
C647993-5mg	5mg	期货
C647993-10mg	10mg	期货
C647993-25mg	25mg	期货
C647993-50mg	50mg	期货
C647993-100mg	100mg	期货

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GPCR/G Protein (3179) LPL Receptor (117)

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基本描述

规格或纯度	≥98%
英文名称	CRT0273750
生化机理	CRT0273750 是一种自体交联素（ATX）抑制剂，可调节血浆中的 LPA 水平（IC 50 = 0.014 μM）。CRT0273750 可用于 ATX/LPA 依赖性癌症模型。
储存温度	-20°C储存
运输条件	超低温冰袋运输
产品介绍	CRT0273750 is an autotaxin (ATX) inhibitor and modulates LPA levels in plasm (IC 50 = 0.014 μM). CRT0273750 can be used in ATX/LPA-dependent models of cancer In Vitro CRT0273750 shows high potency in both the biochemical (IC 50 = 0.01 μM) and plasma choline release assay(IC 50 = 0.014 μM). CRT0273750 is also shown to inhibit the migration of 4T1 cells with an EC50 of 0.025μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo CRT0273750 (1 mg/kg; i.v.)has a moderate blood clearance, with value of 41 mL/min/kg . CRT0273750 (10 mg/kg; oral administration) treatment shows the C max , AUC and t 1/2 values of 3.8 µM, 3.2 µM.h and 1.4 h, respectively . CRT0273750 (10, 30 and 100 mg/kg; oral administration) shows a proportional increase . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: CD-1 mice Dosage: 1 mg/kg Administration: I.v. Result: Had a moderate blood clearance. Animal Model: Balb-c nu/nu mice Dosage: 10, 30 and 100 mg/kg Administration: Oral administration (Pharmacokinetic Analysis) Result: The C max s were 3.8, 10.9 and 18.1 µM, respectively. The AUCs were 3.2, 15.2 and 59.3 µM.h, respectively. The t 1/2 s were 1.4, 0.9 and 1.3 h, respectively. Form:Solid IC50& Target:IC50: 0.014 μM (plasma CRA)
纯度	≥98%

关联靶点（人）

ENPP2 Tchem 外核苷酸焦磷酸酶/磷酸二酯酶家族成员 2(Ectonucleotide pyrophosphatase/phosphodiesterase family member 2) (4 活性数据)

点击查看靶蛋白信息： ENPP2

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

关联靶点（其它种属）

Mus musculus (284745 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

分子类型	小分子
IIUPAC Name	N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
INCHI	1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1
InChi Key	HXYXHSDYBDFOFO-INIZCTEOSA-N
Smiles	CC(C1=CC=C(C=C1)Cl)NC(=O)CCC2=NC3=C(N2CC4=CC=C(C=C4)OC(F)(F)F)N=CC=C3
Isomeric SMILES	C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)CCC2=NC3=C(N2CC4=CC=C(C=C4)OC(F)(F)F)N=CC=C3
PubChem CID	122199235
分子量	502.92

化学和物理性质

溶解性	DMSO : 250 mg/mL (497.10 mM; Need ultrasonic)
分子量	502.900 g/mol
XLogP3	5.500
氢键供体数Hydrogen Bond Donor Count	1
氢键受体数Hydrogen Bond Acceptor Count	7
可旋转键计数Rotatable Bond Count	8
精确质量Exact Mass	502.138 Da
单同位素质量Monoisotopic Mass	502.138 Da
拓扑极表面积Topological Polar Surface Area	69.000 Å²
重原子数Heavy Atom Count	35
形式电荷Formal Charge	0
复杂度Complexity	684.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	1
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

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