PH-064 - ≥98% , CAS No.892546-37-1

CAS: 892546-37-1 Cat. No.: P412952 분자식: C₄₄H₅₈N₈O₂S₂ 분자량: 795.12 PubChem CID: 11593027

GRADE & PURITY ≥98%

Synonyms

BIM-46187

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

PH-064 (BIM-46187) is a heterotrimeric G-protein complex inhibitor.

Specifications

동의어

BIM-46187

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

PH-064 (BIM-46187) is a heterotrimeric G-protein complex inhibitor.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 504766569
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766569
• 정식 스마일: C1CCC(CC1)CC2C3=NC(=CN3CCN2C(=O)C(CSSCC(C(=O)N4CCN5C=C(N=C5C4CC6CCCCC6)C7=CC=CC=C7)N)N)C8=CC=CC=C8
• IUPAC Name: (2R)-2-amino-3-[[(2R)-2-amino-3-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[(8S)-8-(cyclohexylmethyl)-2-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
• InChIKey: GGDNOAWICIHSAW-KEAHXZLPSA-N
• INCHI: 1S/C44H58N8O2S2/c45-35(43(53)51-23-21-49-27-37(33-17-9-3-10-18-33)47-41(49)39(51)25-31-13-5-1-6-14-31)29-55-56-30-36(46)44(54)52-24-22-50-28-38(34-19-11-4-12-20-34)48-42(50)40(52)26-32-15-7-2-8-16-32/h3-4,9-12,17-20,27-28,31-32,35-36,39-40H,1-2,5-8,13-16,21-26,29-30,45-46H2/t35-,36-,39-,40-/m0/s1
• 이성체 SMILES: C1CCC(CC1)C[C@H]2C3=NC(=CN3CCN2C(=O)[C@H](CSSC[C@@H](C(=O)N4CCN5C=C(N=C5[C@@H]4CC6CCCCC6)C7=CC=CC=C7)N)N)C8=CC=CC=C8
• PubChem CID: 11593027
• 분자량: 795.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Phenylimidazoles N-substituted imidazoles Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Dialkyldisulfides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - 4-phenylimidazole - 5-phenylimidazole - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Imidazole - Azole - Dialkyldisulfide - Organic disulfide - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Soluble in DMSO
• 분자량: 795.100 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 794.412 Da
• Monoisotopic Mass: 794.412 Da
• Topological Polar Surface Area: 179.000 Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 1160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% 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 892546-37-1, the molecular formula is C44H58N8O2S2, and the molecular weight is 795.12 g/mol. InChIKey GGDNOAWICIHSAW-KEAHXZLPSA-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.