PP242 - Moligand™, ≥98% , Inhibitor of mechanistic target of rapamycin kinase;Inhibitor of PAS domain containing serine/threonine kinase, CAS No.1092351-67-1, Inhibitor of mechanistic target of rapamycin kinase;Inhibitor of PAS domain containing serine/threonine kinase

CAS: 1092351-67-1 Cat. No.: P129635 Fórmula: C₁₆H₁₆N₆O Peso molecular: 308.34

GRADE & PURITY Moligand™, ≥98%

Synonyms

1H-Indol-5-ol, 2-(4-amino-1-(1-methylethyl)-1H-pyrazolo(3,4-d)pyrimidin-3-yl)- | BDBM36409 | BR164372 | UNII-H5669VNZ7V | O,N-dimethylhydroxyl-amine hydrochloride | SCHEMBL298922 | 2-[4-Amino-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]-1h-Indol-5-Ol

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Visão geral

O troquinib (PP242) é um inibidor seletivo do mTOR com IC50 de 8 nM; visa ambos os complexos mTOR com uma seletividade >10 e 100 vezes maior para o mTOR do que para o PI3Kδ ou PI3Kα/β/γ, respetivamente.
Um inibidor seletivo da FRAP

Specifications

Sinónimos

1H-Indol-5-ol, 2-(4-amino-1-(1-methylethyl)-1H-pyrazolo(3,4-d)pyrimidin-3-yl)- | BDBM36409 | BR164372 | UNII-H5669VNZ7V | O,N-dimethylhydroxyl-amine hydrochloride | SCHEMBL298922 | 2-[4-Amino-1-(Propan-2-Yl)-1h-Pyrazolo[3,4-D]pyrimidin-3-Yl]-1h-Indol-5-Ol

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

O PP242 demonstrou ser um inibidor mTORC1/mTORC2 (FRAP) competitivo em relação ao ATP (IC50 = 8 nM). O PP242 é o primeiro inibidor seletivo que visa o domínio ATP da FRAP. Este composto mostra seletividade para FRAP em relação a outras quinases da família

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of mechanistic target of rapamycin kinase;Inhibitor of PAS domain containing serine/threonine kinase

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

508811059

Sorrisos canónicos

CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(N3)C=CC(=C4)O)N

IUPAC Name

2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol

InChIKey

MFAQYJIYDMLAIM-UHFFFAOYSA-N

INCHI

1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)

SMILES isoméricas

CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(N3)C=CC(=C4)O)N

Peso molecular

308.34

Reaxy-Rn

11730137

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11730137&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Hydroxyindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: Pyrazolo[3,4-d]pyrimidines Indoles Aminopyrimidines and derivatives 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Imidolactams Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyindole - Indole - Pyrazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - Aminopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Pyrimidine - Substituted pyrrole - Benzenoid - Imidolactam - Pyrrole - Pyrazole - Azole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Amine - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.
• 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.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (humanos)

RET Tclin Proto-oncogene tyrosine-protein kinase receptor Ret (2 Activities)

Discover Target: RET

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

PIP5K1C Tchem Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma (1 Activities)

Discover Target: PIP5K1C

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

PRKCE Tchem Protein kinase C epsilon type (1 Activities)

Discover Target: PRKCE

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

MAP3K19 Tchem Mitogen-activated protein kinase kinase kinase 19 (1 Activities)

Discover Target: MAP3K19

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

BMPR1B Tchem Bone morphogenetic protein receptor type-1B (1 Activities)

Discover Target: BMPR1B

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

BRSK1 Tchem Serine/threonine-protein kinase BRSK1 (1 Activities)

Discover Target: BRSK1

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

ACVR2A Tchem Activin receptor type-2A (1 Activities)

Discover Target: ACVR2A

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

ACVR2B Tchem Activin receptor type-2B (1 Activities)

Discover Target: ACVR2B

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

ACVR1 Tchem Activin receptor type-1 (1 Activities)

Discover Target: ACVR1

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

ACVRL1 Tchem Serine/threonine-protein kinase receptor R3 (1 Activities)

Discover Target: ACVRL1

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

PASK Tchem PAS domain-containing serine/threonine-protein kinase (0 Activities)

Discover Target: PASK

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

JAK2 Tclin Tyrosine-protein kinase JAK2 (1 Activities)

Discover Target: JAK2

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

MAP2K5 Tchem Dual specificity mitogen-activated protein kinase kinase 5 (1 Activities)

Discover Target: MAP2K5

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

MTOR Tclin Serine/threonine-protein kinase mTOR (6 Activities)

Discover Target: MTOR

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

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO (>10 mg/mL)
• Peso molecular: 308.340 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 308.139 Da
• Monoisotopic Mass: 308.139 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 435.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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