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

COA

Grade & Purity:

≥98 atom% D,≥98%(CP)

Cas Number: 87745-18-4
Molecular Weight: 150.25
PubChem CID: 159148

In stock

Item Number

V757798

Grouped product items
SKU	Size	Availability	Price
V757798-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90
V757798-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$249.90
V757798-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90

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Basic Description

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
Specifications & Purity	≥98 atom% D,≥98%(CP)
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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 .

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class 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
Class	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
Description	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
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

Names and Identifiers

IUPAC Name	5,5,5-trideuterio-2-(3,3,3-trideuteriopropyl)pentanoic acid
INCHI	InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/i1D3,2D3
InChIKey	NIJJYAXOARWZEE-WFGJKAKNSA-N
Smiles	CCCC(CCC)C(=O)O
Isomeric SMILES	[2H]C([2H])([2H])CCC(CCC([2H])([2H])[2H])C(=O)O
Alternate CAS	99-66-1（unlabelled）
Molecular Weight	150.25

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	Chloroform (Slightly), Methanol (Slightly)
Molecular Weight	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 Å²
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

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