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Product details

名称

PF-06380101

分子类型

小分子

别名

(S)-2-(2-氨基-2-甲基丙酰氨基)-N-((3R,4S,5S)-3-甲氧基-1-((S)-2-((1R,2R)-1-甲氧基-2-甲基-3-氧代-3-(((S)-2-苯基-1-(噻唑-2-基)乙基)氨基)丙基)吡咯烷-1-基)-5-甲基-1-氧代庚烷-4-基)-N,3-二甲基丁酰胺

英文别名

Auristatin-0101 | Aur0101 | (S)-2-(2-Amino-2-methylpropanamido)-N-((3R,4S,5S)-3-methoxy-1-((S)-2-((1R,2R)-1-methoxy-2-methyl-3-oxo-3-(((S)-2-phenyl-1-(thiazol-2-yl)ethyl)amino)propyl)pyrrolidin-1-yl)-5-methyl-1-oxoheptan-4-yl)-N,3-dimethylbutanamide | PF0

英文名称

PF-06380101

货号

P651438-5mg

包装规格

5mg

级别

Moligand™

浓度

≥98%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

PF-06380101 (Aur0101), an auristatin microtubule inhibitor, is a cytotoxic Dolastatin 10 analogue. PF-06380101 (Aur0101) shows excellent potencies in tumor cell proliferation assays and differential ADME properties when compared to other synthetic auristatin analogues that are used in the preparation of ADCs. In Vivo After an IV dose of 20a at 20 μg/kg to Wistar Han rats, PF-06380101 exhibited a mean systemic clearance (Cl) of 70 mL/min/kg and a volume of distribution (Vss) of 14.70 L/kg, resulting in a terminal elimination half-life (t1/2) of approximately 6 h. PF-06380101 preferentially distributes into human plasma relative to whole blood and that PF-06380101 is a P-glycoprotein (P-gp) substrate. PF-06380101 is anticipated to be of low risk to perpetrate pharmacokinetic drug interactions with compounds for which CYP1A2, CYP2B6, CYP2C8, CYP2C9, CYP2C19, CYP2D6, and/or CYP3A4/5-mediated metabolism constitutes the primary mechanism of clearance. The utility of the new auristatin analogues as ADC payloads including the development of the lead analogue 20a (PF-06380101) will be reported in due course. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:Auristatin

生化机理

PF-06380101 (Aur0101) 是一种 auristatin 微管抑制剂，是具有细胞毒性的 Dolastatin 10 类似物。PF-06380101 (Aur0101)在肿瘤细胞增殖试验中表现出卓越的效力，与其他合成的乌司他丁类似物相比，它具有不同的 ADME 特性。

CAS号

1436391-86-4

分子式

C39H62N6O6S

分子量

743.01 g/mol

PubChem编号

71569947

Isomeric SMILES

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N

Smiles

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N

溶解性

DMSO : ≥ 65 mg/mL (87.48 mM)

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

742.445 Da

单同位素质量Monoisotopic Mass

742.445 Da

拓扑极表面积Topological Polar Surface Area

184.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

1170.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.100

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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