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CPP-115 , CAS No.640897-20-7, Inhibitor of 4-aminobutyrate aminotransferase

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CPP-115 , CAS No.640897-20-7, Inhibitor of 4-aminobutyrate aminotransferase

COA

Grade & Purity:

Moligand™

Cas Number: 640897-20-7
PubChem CID: 9794014

In stock

Item Number

C609587

Grouped product items
SKU	Size	Availability	Price	Qty
C609587-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$400.90
C609587-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,300.90

View related series

4-aminobutyrate aminotransferase Inhibitor (3) Ion channel (2197)

Basic Description

Synonyms	Q27076910 \| NSC793876 \| NSC-793876 \| 5TD9324Z2U \| AKOS040748176 \| CPP-115 free base \| compound 12 [PMID 25616005] \| (1S,3S)-3-Amino-4-(difluoromethylene)cyclopentanecarboxylic acid \| (+)-(1S,4S)-4-Amino-3-(difluoromethylene)-1-cyclopentanecarboxylic acid
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of 4-aminobutyrate aminotransferase

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Gamma amino acids and derivatives

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
Direct Parent	Gamma amino acids and derivatives
Alternative Parents	Ketene acetals Amino acids Vinyl fluorides Monocarboxylic acids and derivatives Fluoroalkenes Carboxylic acids Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Gamma amino acid or derivatives - Ketene acetal or derivatives - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Vinyl fluoride - Vinyl halide - Haloalkene - Fluoroalkene - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
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

Associated Targets(Human)

ABAT Tclin 4-aminobutyrate aminotransferase, mitochondrial (1 Activities)

Discover Target: ABAT

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ABAT Tclin Gamma-amino-N-butyrate transaminase (140 Activities)

Discover Target: ABAT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	(1S,3S)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid
INCHI	InChI=1S/C7H9F2NO2/c8-6(9)4-1-3(7(11)12)2-5(4)10/h3,5H,1-2,10H2,(H,11,12)/t3-,5-/m0/s1
InChIKey	CBSRETZPFOBWNG-UCORVYFPSA-N
Smiles	OC(=O)[C@H]1CC(=C(F)F)[C@H](C1)N
Isomeric SMILES	C1[C@H](CC(=C(F)F)[C@H]1N)C(=O)O
PubChem CID	9794014

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	177.150 g/mol
XLogP3	-2.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	177.06 Da
Monoisotopic Mass	177.06 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	236.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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