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EP1013 , CAS No.223568-55-6

COA

Cas Number: 223568-55-6
Molecular Weight: 382.38
PubChem CID: 9907987

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Item Number

E647027

Grouped product items
SKU	Size	Availability	Price
E647027-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$132.90
E647027-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$264.90
E647027-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$420.90
E647027-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,188.90
E647027-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,920.90

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Basic Description

Biochemical and Physiological Mechanisms	EP1013 (F1013) is a broad-spectrum caspase selective inhibitor, used in the research of type 1 diabetes.
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	EP1013 (F1013) is a broad-spectrum caspase selective inhibitor, used in the research of type 1 diabetes In Vivo EP1013 (1, 3, 10 mg/kg) significantly improves marginal islet mass function. Two animals in the 10 mg/kg EP1013 treatment group exhibit primary islet graft nonfunction, but the diabetes reversal\nrate for this group is not significantly different from the 3 mg/kg EP1013, 1 mg/kg EP1013, or 10 mg/kg zVAD groups. EP1013 therapy enhances functional syngeneic islet mass and promotes longevity of islet graft function . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:Caspase

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Peptidomimetics
    - Subclass Hybrid peptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Peptidomimetics
Subclass	Hybrid peptides
Intermediate Tree Nodes	Not available
Direct Parent	Hybrid peptides
Alternative Parents	Valine and derivatives Alpha amino acid amides Beta amino acids and derivatives Benzyloxycarbonyls Gamma-keto acids and derivatives N-acyl amines Carbamate esters Alpha-haloketones Secondary carboxylic acid amides Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hybrid peptide - Valine or derivatives - Alpha-amino acid amide - Beta amino acid or derivatives - Benzyloxycarbonyl - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Gamma-keto acid - Fatty acyl - Benzenoid - N-acyl-amine - Keto acid - Fatty amide - Monocyclic benzene moiety - Alpha-haloketone - Carbamic acid ester - Secondary carboxylic acid amide - Carbonic acid derivative - Ketone - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
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	(3S)-5-fluoro-3-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxopentanoic acid
INCHI	InChI=1S/C18H23FN2O6/c1-11(2)16(17(25)20-13(8-15(23)24)14(22)9-19)21-18(26)27-10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3,(H,20,25)(H,21,26)(H,23,24)/t13-,16-/m0/s1
InChIKey	LYBWGROBJJXCJJ-BBRMVZONSA-N
Smiles	CC(C)C(C(=O)NC(CC(=O)O)C(=O)CF)NC(=O)OCC1=CC=CC=C1
Isomeric SMILES	CC(C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CF)NC(=O)OCC1=CC=CC=C1
PubChem CID	9907987
MeSH Entry Terms	benzyloxycarbonyl-valyl-aspartic acid fluoromethyl ketone;EP1013;F573 compound;MX1013;N-benzyloxycabonyl-Val Asp-fluoromethyl ketone;Z-VD-FMK;zVD-FMK
Molecular Weight	382.38

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 100 mg/mL (261.52 mM; Need ultrasonic)
Molecular Weight	382.400 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	382.154 Da
Monoisotopic Mass	382.154 Da
Topological Polar Surface Area	122.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	534.000
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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