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Product details

名称

Valecobulin

分子类型

小分子

别名

伐可布林

英文别名

BUTANAMIDE, 2-AMINO-3-METHYL-N-(4-(3-(1H-1,2,4-TRIAZOL-1-YL)-4-(3,4,5-TRIMETHOXYBENZOYL)PHENYL)-2-THIAZOLYL)-, (2S)- | EN300-7434456 | UNII-P48P97V001 | (2S)-2-amino-3-methyl-N-[4-[3-(1,2,4-triazol-1-yl)-4-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazol-2-yl

英文名称

Valecobulin

货号

V646493-5mg

包装规格

5mg

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

Valecobulin (CKD516) is a valine proagent of (S516) and a vascular disrupting agent (VDA). Valecobulin is a potent β-tubulin polymerization inhibitor with marked antitumor activity against murine and human solid tumors In Vivo Valecobulin (5 mg/kg; intraperitoneal injection; administered on days 2, 6, 10, and 14; male BALB/C nu/nu mice) treatment shows markedly antitumor efficacy in various human tumor xenograft models . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male BALB/C nu/nu mice (5-6 weeks of age) with HCT-116 or HCT-15 cells Dosage: 5 mg/kg Administration: Intraperitoneal injection; administered on days 2, 6, 10, and 14 Result: Had shown marked antitumor efficacy in various human tumor xenograft models. Form:Solid IC50& Target:β-tubulin polymerization

生化机理

Valecobulin（CKD516）是（S516）的一种缬氨酸原药，也是一种血管破坏剂（VDA）。Valecobulin 是一种强效的 β-微管蛋白聚合抑制剂，对小鼠和人类实体瘤具有显著的抗肿瘤活性。

CAS号

1188371-47-2

分子式

C26H28N6O5S

分子量

536.60 g/mol

PubChem编号

44243402

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)N4C=NC=N4)N

IIUPAC Name

(2S)-2-amino-3-methyl-N-[4-[3-(1,2,4-triazol-1-yl)-4-(3,4,5-trimethoxybenzoyl)phenyl]-1,3-thiazol-2-yl]butanamide

INCHI

1S/C26H28N6O5S/c1-14(2)22(27)25(34)31-26-30-18(11-38-26)15-6-7-17(19(8-15)32-13-28-12-29-32)23(33)16-9-20(35-3)24(37-5)21(10-16)36-4/h6-14,22H,27H2,1-5H3,(H,30,31,34)/t22-/m0/s1

InChi Key

UKKRUIXIDCWALA-QFIPXVFZSA-N

Smiles

CC(C)C(C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)N4C=NC=N4)N

PubChem CID

44243402

关联CAS

1188371-47-2

溶解性

DMSO : 125 mg/mL (232.95 mM; Need ultrasonic)

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

536.184 Da

单同位素质量Monoisotopic Mass

536.184 Da

拓扑极表面积Topological Polar Surface Area

172.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

794.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

3.600

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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