Valproic acid-d6 - ≥98 atom% D,≥98%(CP) , CAS No.87745-18-4

CAS: 87745-18-4 Cat. No.: V757798 분자식: C₈H₁₀D₆O₂ 분자량: 150.25 EC 번호: 804-489-9

GRADE & PURITY ≥98 atom% D,≥98%(CP)

Synonyms

VPA-d6 | 2-Propylpentanoic Acid-d6 | 2-(Propyl-3,3,3-d3)pentanoic-5,5,5-d3 Acid | Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)- (9CI) | 5,5,5,5',5',5'-Hexadeuterovalproic acid | Valproic-5,5,5,5',5',5'-D6 acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Valproic acid-d6 is the deuterium labeled Valproic acid. Valproic acid (VPA; 2-Propylpentanoic Acid) is an HDAC inhibitor, with IC50 in the range of 0.5 and 2 mM, also inhibits HDAC1 (IC50, 400 μM), and induces proteasomal degradation of HDAC2. Valproic acid activates Notch1 signaling and inhibits proliferation in small cell lung cancer (SCLC) cells. Valproic acid sodium salt is used in the treatment of epilepsy, bipolar disorder and prevention of migraine headaches .

Specifications

동의어

VPA-d6 | 2-Propylpentanoic Acid-d6 | 2-(Propyl-3,3,3-d3)pentanoic-5,5,5-d3 Acid | Pentanoic-5,5,5-d3 acid, 2-(propyl-3,3,3-d3)- (9CI) | 5,5,5,5',5',5'-Hexadeuterovalproic acid | Valproic-5,5,5,5',5',5'-D6 acid

사양 및 순도

≥98 atom% D,≥98%(CP)

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98 atom% D,≥98%(CP)

이름과 식별자

• Pubchem Sid: 528769201
• 정식 스마일: CCCC(CCC)C(=O)O
• IUPAC Name: 5,5,5-trideuterio-2-(3,3,3-trideuteriopropyl)pentanoic acid
• InChIKey: NIJJYAXOARWZEE-WFGJKAKNSA-N
• INCHI: 1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/i1D3,2D3
• 이성체 SMILES: [2H]C([2H])([2H])CCC(CCC([2H])([2H])[2H])C(=O)O
• 대체 CAS: 99-66-1（unlabelled）
• 분자량: 150.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates
        • Level5 Branched fatty acids
          • Level6 Methyl-branched fatty acids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Branched fatty acids
• Direct Parent: Methyl-branched fatty acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl-branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present.
• 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: Chloroform (Slightly), Methanol (Slightly)
• 분자량: 150.250 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 150.153 Da
• Monoisotopic Mass: 150.153 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 93.400
• Isotope Atom Count: 6
• 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