SP 141 - ≥98%(HPLC) , CAS No.1253491-42-7

CAS: 1253491-42-7 Cat. No.: S288439 분자식: C₂₂H₁₆N₂O 분자량: 324.38 PubChem CID: 59620153

등급 & 순도 ≥98%(HPLC)

Synonyms

6-methoxy-1-(1-naphthalenyl)-9H-pyrido[3,4-b]indole

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

product description：

P-141 is a specific MDM2 inhibitor. SP-141 promotes MDM2 auto-ubiquitination and degradation. SP-141 in potential for cancer research.

사양

동의어

6-methoxy-1-(1-naphthalenyl)-9H-pyrido[3,4-b]indole

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

High affinity MDM2 inhibitor (Ki= 28 nM); directly binds MDM2. Inhibits MDM2 expression and induces MDM2 autoubiquitination and proteasomal degradation. Attenuates growth of breast cancer xenograft tumors. Cell permeable.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%(HPLC)

이름과 식별자

Pubchem Sid

528767154

정식 스마일

COC1=CC2=C(C=C1)NC3=C2C=CN=C3C4=CC=CC5=CC=CC=C54

IUPAC Name

6-methoxy-1-naphthalen-1-yl-9H-pyrido[3,4-b]indole

InChIKey

AABFWJDLCCDJJN-UHFFFAOYSA-N

INCHI

1S/C22H16N2O/c1-25-15-9-10-20-19(13-15)18-11-12-23-21(22(18)24-20)17-8-4-6-14-5-2-3-7-16(14)17/h2-13,24H,1H3

이성체 SMILES

COC1=CC2=C(C=C1)NC3=C2C=CN=C3C4=CC=CC5=CC=CC=C54

PubChem CID

59620153

분자량

324.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • 분류 Harmala alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 분류: Harmala alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Harmala alkaloids
• Alternative Parents: Beta carbolines Naphthalenes Indoles Anisoles Alkyl aryl ethers Pyridines and derivatives Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Harman - Beta-carboline - Pyridoindole - Naphthalene - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Pyridine - Benzenoid - Heteroaromatic compound - Pyrrole - Organoheterocyclic compound - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.
• 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

관련 대상(인간)

Breast carcinoma cell (217 Activities)

Explore this target

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

CTNNB1 Tchem Catenin beta-1 (517 Activities)

Discover Target: CTNNB1

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

관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 32.44, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 32.44, Max Conc. mM: 100
• 분자량: 324.400 g/mol
• XLogP3: 5.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 324.126 Da
• Monoisotopic Mass: 324.126 Da
• Topological Polar Surface Area: 37.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 469.000
• 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