BCL6-IN-5 - ≥99% , CAS No.2253878-09-8

CAS: 2253878-09-8 Cat. No.: B646824 分子式: C₁₇H₁₉Cl₂N₅O₂ 分子量: 396.27 PubChem CID: 135386935

グレード＆純度 ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

BCL6-IN-5 is a potent BCL6 inhibitor exacted from patent WO2018215801A1, example 1n, has a pIC 50 of 5.82.

Form:Solid

仕様

仕様と純度

≥99%

生化学的・生理学的メカニズム

BCL6-IN-5 is a potent BCL6 inhibitor exacted from patent WO2018215801A1, example 1n, has a pIC 50 of 5.82.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥99%

名前と識別子

カノニカル・スマイル

CC(C)(CCN1C2=C(C=CC(=C2)NC3=NC(=NC=C3Cl)Cl)N(C1=O)C)O

IUPAC Name

5-[(2,5-dichloropyrimidin-4-yl)amino]-3-(3-hydroxy-3-methylbutyl)-1-methylbenzimidazol-2-one

InChIKey

NKMQWLPBEJJYCN-UHFFFAOYSA-N

INCHI

1S/C17H19Cl2N5O2/c1-17(2,26)6-7-24-13-8-10(4-5-12(13)23(3)16(24)25)21-14-11(18)9-20-15(19)22-14/h4-5,8-9,26H,6-7H2,1-3H3,(H,20,21,22)

異性体SMILES

CC(C)(CCN1C2=C(C=CC(=C2)NC3=NC(=NC=C3Cl)Cl)N(C1=O)C)O

PubChem CID

135386935

分子量

396.27

作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO : 20.83 mg/mL (52.57 mM; Need ultrasonic)
• 分子量: 396.300 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 395.092 Da
• Monoisotopic Mass: 395.092 Da
• Topological Polar Surface Area: 81.600 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 523.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1