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Eflornithine hydrochloride hydrate - 10mM in Water, high purity , CAS No.96020-91-6, Ornithine decarboxylase inhibitor
Basic Description
Synonyms
96020-91-6 | Eflornithine hydrochloride hydrate | Eflornithine hydrochloride monohydrate | Vaniqa | Eflornithine HCl | dfmo | MDL 71,782 A | Eflornithine HCl hydrate | Eflornithine hydrochloride [USAN] | UNII-4NH22NDW9H | 4NH22NDW9H | RMI-71782 | 2-(Difluoromethyl)-DL-ornithine
Specifications & Purity
10mM in Water
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Mechanism of action
Ornithine decarboxylase inhibitor
Product Description
Eflornithine(Difluoromethylornithine) inhibits polyamine biosynthesis by the selective, irreversible inhibition of ornithine decarboxylase (ODC). A chemoprotective agent that blocks angiogenesis. Its biological half-life is 8 hours.
A cell-permeable, anticancer agent that acts as a specific and irreversible inhibitor of ornithine decarboxylase (ODC), the rate-limiting enzyme in polyamine biosynthesis. Inhibits B16 melanoma-induced angiogenesis in ovo and proliferation of vascular endothelial cells in vitro.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
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 acids
Alternative Parents
Halogenated fatty acids Branched fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organofluorides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Alpha-amino acid - Branched fatty acid - Halogenated fatty acid - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2,5-diamino-2-(difluoromethyl)pentanoic acid;hydrate;hydrochloride
INCHI
InChI=1S/C6H12F2N2O2.ClH.H2O/c7-4(8)6(10,5(11)12)2-1-3-9;;/h4H,1-3,9-10H2,(H,11,12);1H;1H2
InChIKey
FJPAMFNRCFEGSD-UHFFFAOYSA-N
Smiles
C(CC(C(F)F)(C(=O)O)N)CN.O.Cl
Isomeric SMILES
C(CC(C(F)F)(C(=O)O)N)CN.O.Cl
RTECS
RM2981900
Alternate CAS
70052-12-9
Molecular Weight
236.65
Reaxy-Rn
13338246
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13338246&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
heat sensitive
Melt Point(°C)
183°C(lit.)
Molecular Weight
236.640 g/mol
XLogP3
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
5
Exact Mass
236.074 Da
Monoisotopic Mass
236.074 Da
Topological Polar Surface Area
90.300 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
166.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
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