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Z-YVAD-FMK, Inhibitor of Caspase 1, CAS No.rp175441, Inhibitor of Caspase 1

COA

Grade & Purity:

Moligand™

PubChem CID: 644196

In stock

Item Number

rp175441

Grouped product items
SKU	Size	Availability	Price	Qty
rp175441-500μg	500μg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
rp175441-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,334.90

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Caspase 1 Inhibitor (5)

Basic Description

Synonyms	Caspase-1 Inhibitor VI \| L-Alaninamide, N-[(phenylmethoxy)carbonyl]-L-tyrosyl-L-valyl-N-[(1S)-3-fluoro-1-(2-methoxy-2-oxoethyl)-2-oxopropyl]- (9CI) \| CS-0022663 \| DTXSID10943333 \| methyl (3S)-5-fluoro-3-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phen
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of Caspase 1

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	Tyrosine and derivatives Phenylalanine and derivatives Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Beta amino acids and derivatives Amphetamines and derivatives Benzyloxycarbonyls Gamma-keto acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Fatty acid methyl esters N-acyl amines Alpha-haloketones Carbamate esters Methyl esters Organic carbonic acids and derivatives Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hybrid peptide - Tyrosine or derivatives - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Valine or derivatives - Alpha-amino acid amide - Alanine or derivatives - Beta amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Benzyloxycarbonyl - Gamma-keto acid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Fatty acid methyl ester - Fatty acyl - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Benzenoid - Keto acid - Alpha-haloketone - Carbamic acid ester - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carbonic acid derivative - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Alkyl halide - Carbonyl group - Organooxygen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - 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

Associated Targets(Human)

CASP1 Tchem Caspase-1 (0 Activities)

Discover Target: CASP1

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

Names and Identifiers

IUPAC Name	methyl (3S)-5-fluoro-3-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxopentanoate
INCHI	InChI=1S/C31H39FN4O9/c1-18(2)27(30(42)33-19(3)28(40)34-23(25(38)16-32)15-26(39)44-4)36-29(41)24(14-20-10-12-22(37)13-11-20)35-31(43)45-17-21-8-6-5-7-9-21/h5-13,18-19,23-24,27,37H,14-17H2,1-4H3,(H,33,42)(H,34,40)(H,35,43)(H,36,41)/t19-,23-,24-,27-/m0/s1
InChIKey	MVPQJUFFTWWKBT-LBDWYMBGSA-N
Smiles	COC(=O)C[C@@H](C(=O)CF)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)OCc1ccccc1)C
Isomeric SMILES	C[C@@H](C(=O)N[C@@H](CC(=O)OC)C(=O)CF)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)OCC2=CC=CC=C2
PubChem CID	644196

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	630.700 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	18
Exact Mass	630.27 Da
Monoisotopic Mass	630.27 Da
Topological Polar Surface Area	189.000 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1010.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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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