R-10015 - ≥96% , CAS No.2097938-51-5

CAS: 2097938-51-5 Cat. No.: R413653 Fórmula: C₂₀H₁₉ClN₆O₂ Peso molecular: 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

Visão geral

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

Sinónimos

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

Especificações e pureza

≥96%

Mecanismos bioquímicos e fisiológicos

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.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Propriedades do produto

• ALogP: 3.677
• Contagem HBD: 2
• Ligação rotativa: 4

Nomes e identificadores

• Pubchem Sid: 504773065
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773065
• Sorrisos canónicos: 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
• Peso molecular: 410.86

Propriedades químicas e físicas

• Solubilidade: 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) Solubilidade máxima: 82
• DMSO (mM) Solubilidade máxima: 199.581365915397
• Água (mg/mL) Solubilidade máxima: ˂1
• Peso molecular: 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

Perguntas frequentes

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.