R-10015 - ≥96% , CAS No.2097938-51-5

CAS: 2097938-51-5 Cat. No.: R413653 分子式: C₂₀H₁₉ClN₆O₂ 分子量: 410.86 PubChem CID: 129896912

GRADE & PURITY ≥96%

Synonyms

1H-​Benzimidazole-​6-​carboxylic acid,2-​[1-​(5-​chloro-​7H-​pyrrolo[2,​3-​d]​pyrimidin-​4-​yl)​-​4-​piperidinyl]​-​,methyl ester

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

R-10015 R-10015 is a potent, selective inhibitor of LIM domain kinase (LIMK) with IC50 of 38 nM for human LIMK1. R-10015 binds to the ATP-binding pocket and acts as a broad-spectrum antiviral compound for HIV infection.

Targets

hLIMK1 (Cell-free assay) 38 nM

Specifications

同義語

1H-​Benzimidazole-​6-​carboxylic acid,2-​[1-​(5-​chloro-​7H-​pyrrolo[2,​3-​d]​pyrimidin-​4-​yl)​-​4-​piperidinyl]​-​,methyl ester

仕様と純度

≥96%

生化学的・生理学的メカニズム

R-10015 is a potent, selective inhibitor of LIM domain kinase (LIMK) with IC50 of 38 nM for human LIMK1. R-10015 binds to the ATP-binding pocket and acts as a broad-spectrum antiviral compound for HIV infection.

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。

純度

≥96%

製品の性質

ALogP

3.677

HBD数

2

回転可能な結合

4

名前と識別子

パブケム・シド

504773065

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504773065

カノニカル・スマイル

COC(=O)C1=CC2=C(C=C1)N=C(N2)C3CCN(CC3)C4=NC=NC5=C4C(=CN5)Cl

IUPAC Name

methyl 2-[1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-3H-benzimidazole-5-carboxylate

InChIKey

MGRJCGXCUUCOQG-UHFFFAOYSA-N

INCHI

1S/C20H19ClN6O2/c1-29-20(28)12-2-3-14-15(8-12)26-17(25-14)11-4-6-27(7-5-11)19-16-13(21)9-22-18(16)23-10-24-19/h2-3,8-11H,4-7H2,1H3,(H,25,26)(H,22,23,24)

PubChem CID

129896912

分子量

410.86

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 82 mg/mL (199.58 mM); Ethanol: 10 mg/mL (24.33 mM); Water: ˂1 mg/mL
• DMSO（mg / mL） 最大溶解度: 82
• DMSO（mM） 最大溶解度: 199.581365915397
• 水（mg / mL） 最大溶解度: ˂1
• 分子量: 410.900 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 410.126 Da
• Monoisotopic Mass: 410.126 Da
• Topological Polar Surface Area: 99.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 604.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2097938-51-5, the molecular formula is C20H19ClN6O2, and the molecular weight is 410.86 g/mol. InChIKey MGRJCGXCUUCOQG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.