PAC-1 - Moligand™, ≥98% , Activator of Caspase 3, CAS No.315183-21-2, Activator of Caspase 3

Name: PAC-1 - Moligand™, ≥98% , Activator of Caspase 3, CAS No.315183-21-2, Activator of Caspase 3
Brand: Aladdin Scientific
SKU: P129306
Availability: InStock

CAS: 315183-21-2 Cat. No.: P129306 Fórmula: C₂₃H₂₈N₄O₂ Peso molecular: 392.49 Número CE: 636-533-6

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PAC-1 - Moligand™, ≥98% CAS No(315183-21-2) by Aladdin Scientific

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Disponível para encomenda

GRAU & PUREZA Moligand™ ? ≥98%

Synonyms

1-Piperazineacetic acid, 4-(phenylmethyl)-, ((2-hydroxy-3-(2-propenyl)phenyl)methylene)hydrazide|Procaspase activating compound 1|N'-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetohydrazide|Procaspase-activating compound 1|4-(Phenylmethyl)-1-piperazineacetic acid [[2-hydroxy-3-(2-propenyl)phenyl]methylene]hydrazide|N'-(3-allyl-2-hydroxybenzylidene)-2-(4-benzylpiperazin-1-yl)acEthanolydrazide|6.BETA.,7.BETA.-EPOXY-3.BETA.-HYDROXY-8-METHYL-1.ALPHA.H,5.ALPHA.H-TROPANIUM BROMIDE, DI-2-THIENYLGLYCOLATE MONOHYDRATE|(E)-N'-(3-allyl-2-hydroxybenzylidene)-2-(4-benzylpiperazin-1-yl)acetohydrazide|PAC 1|PAC1|PAC-1|Benzonitrile, 2-((6-((3R)-3-amino-1-piperidinyl)-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl)-|4-[(4S,5R)-4,5-Bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one|first procaspase activating compound|N'-(3-allyl-2-hydroxybenzylidene)-2-(4-benzylpiperazin-1-yl)acetohydrazide|Procaspase-3 Activator|SDCCGSBI-0633812.P001|1-Piperazineacetic acid, 4-(phenylmethyl)-, 2-((2-hydroxy-3-(2-propen-1-yl)phenyl)methylene)hydrazide|PAC-1 pound notPAC1|2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Folha de especificações

Visão geral Especificações Nomes e identificadores Dados avançados Taxonomic Classification Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas FAQs e artigos Citations of This Product Calculadoras de soluções Revisões Perguntas frequentes

Visão geral

O PAC-1 é um potente ativador da procaspase-3 com EC50 de 0,22 μM e a primeira pequena molécula conhecida por ativar diretamente a procaspase-3 em caspase-3.
Um composto ativador da procaspase.

Especificações

Sinónimos

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

O PAC 1 é um composto ativador da procaspase, que por sua vez produz caspase-3 (EC50 = 0,22 μM). O PAC 1 também ativa a procaspase-7 de uma forma menos eficiente (EC50 = 4,5 μM). Este composto é um pró-apoptótico, induzindo a apoptose em células cancerosa

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Grau

Moligand™

Tipo de ação

ACTIVATOR

Mecanismo de ação

Activator of Caspase 3

Nota

Sempre que possível, deve preparar e utilizar as soluções no mesmo dia. No entanto, se precisar de preparar soluções de reserva com antecedência, recomendamos que guarde a solução como alíquotas em frascos hermeticamente fechados a -20°C. Em geral, estas podem ser utilizadas durante um mês. Antes de utilizar, e antes de abrir o frasco para injectáveis, recomendamos que deixe o seu produto equilibrar à temperatura ambiente durante pelo menos 1 hora. Precisa de mais conselhos sobre solubilidade, utilização e manuseamento? Para mais informações, visite a nossa página de perguntas frequentes (FAQ).

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504773299

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773299

Sorrisos canónicos

C=CCC1=C(C(=CC=C1)C=NNC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O

IUPAC Name

2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide

InChIKey

YQNRVGJCPCNMKT-LFVJCYFKSA-N

INCHI

1S/C23H28N4O2/c1-2-7-20-10-6-11-21(23(20)29)16-24-25-22(28)18-27-14-12-26(13-15-27)17-19-8-4-3-5-9-19/h2-6,8-11,16,29H,1,7,12-15,17-18H2,(H,25,28)/b24-16+

SMILES isoméricas

C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)O

WGK Alemanha

Peso molecular

392.49

Reaxy-Rn

18691810

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18691810&ln=

Dados avançados

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Classe Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	N-piperazineacetamides
Alternative Parents	Alpha amino acids and derivatives Phenylmethylamines Benzylamines Phenoxides N-alkylpiperazines Aralkylamines Quaternary ammonium salts Trialkylamines Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alpha-amino acid or derivatives - N-piperazineacetamide - Benzylamine - Phenylmethylamine - Aralkylamine - N-alkylpiperazine - Phenoxide - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
Descrição	This compound belongs to the class of organic compounds known as n-piperazineacetamides. These are heterocyclic compounds containing a piperazine ring, which N-substituted with an acetamide group.
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

Estrutura 3D

Alvos associados (humanos)

CASP3 Tchem Caspase-3 (3 Activities)

Discover Target: CASP3

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

CASP3 Tchem Caspase-3 (3632 Activities)

Discover Target: CASP3

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

MET Tclin Hepatocyte growth factor receptor (10718 Activities)

Discover Target: MET

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

CASP7 Tchem Caspase-7 (3146 Activities)

Discover Target: CASP7

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

XIAP Tchem Inhibitor of apoptosis protein 3 (3673 Activities)

Discover Target: XIAP

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

5637 (630 Activities)

Solubilidade	Soluble in 1eq. HCl (75 nM), DMSO (100 mM), insoluble in water, ethanol (~5 mg/mL), DMSO:PBS(PH 7.2)(1:3), DMF (~30 mg/ml), and 1:3 solution of ethanol :PBS(PH 7.2) (~0.25 mg/ml).
Sensibilidade	Light sensitive
Peso molecular	392.500 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	392.221 Da
Monoisotopic Mass	392.221 Da
Topological Polar Surface Area	68.200 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	539.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

PAC-1 - Moligand™, ≥98% , Activator of Caspase 3, CAS No.315183-21-2, Activator of Caspase 3

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Especificações

Dados avançados

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