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Product details

名称

Ulixertinib hydrochloride

别名

盐酸乌利塞替尼

英文别名

英文名称

Ulixertinib hydrochloride

货号

U649751-5mg

包装规格

5mg

浓度

≥99%

储存温度

2-8°C储存,干燥

运输条件

冰袋运输

产品介绍

Ulixertinib hydrochloride (BVD-523 hydrochloride) is a potent, orally active, highly selective, ATP-competitive and reversible covalent inhibitor of ERK1/2 kinases, with an IC 50 of In Vitro Combined Ulixertinib (BVD-523; 10, 20, 30 μM; 48 hours) and VS-5584 treatment causes significant induction of cell death in human pancreatic cancer (HPAC) cells in PDAC cell lines BxPC-3, MIAPaCa-2, and CFPAC-1. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid

生化机理

盐酸乌利昔替尼（BVD-523 盐酸盐）是一种强效、口服活性、高选择性、ATP 竞争性和可逆的 ERK1/2 激酶共价抑制剂，对 ERK2 的 IC 50 小于 0.3 nM。盐酸乌利克替尼可抑制ERK1/2激酶的磷酸化。

CAS号

1956366-10-1

分子式

C21H23Cl3N4O2

分子量

469.8 g/mol

PubChem编号

71584481

Isomeric SMILES

CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl.Cl

IIUPAC Name

N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyridin-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride

INCHI

1S/C21H22Cl2N4O2.ClH/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13;/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29);1H/t19-;/m1./s1

InChi Key

DKGYQCPFBWFTHM-FSRHSHDFSA-N

Smiles

CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl)Cl.Cl

PubChem CID

71584481

关联CAS

1956366-10-1

溶解性

DMSO : 100 mg/mL (212.86 mM; Need ultrasonic) H2O : 0.1 mg/mL (0.21 mM; ultrasonic and warming and heat to 80°C)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

468.089 Da

单同位素质量Monoisotopic Mass

468.089 Da

拓扑极表面积Topological Polar Surface Area

90.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

539.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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