APY 29 - 10mM in DMSO , CAS No.1216665-49-4

CAS: 1216665-49-4 Cat. No.: A420934 분자식: C17H16N8 분자량: 332.36
주문 가능
GRADE & PURITY 10mM in DMSO
Synonyms
(E)-N-(6-((5-cyclopropyl-1H-pyrazol-3-yl)imino)-1,6-dihydropyrimidin-2-yl)-1H-benzo[d]imidazol-6-amine;N2-1H-Benzimidazol-6-yl-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4-pyrimidinediamine;APY29 (type I kinase inhibitor);N2-(1H-Benzo[d]imidazol-6-yl)-N4-(3-cyc
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
Size
USA
독일 (EU)*
Price
Qty
1ml
A420934-1ml
1 재고 있음

US$194.90

US$284.90
저장 US$90.00 (31.59%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Product Describtion:

APY29 is considered as a type I kinase inhibitor of inositol requiring kinase enzyme 1 α (IRE1α).

Specifications

동의어
(E)-N-(6-((5-cyclopropyl-1H-pyrazol-3-yl)imino)-1,6-dihydropyrimidin-2-yl)-1H-benzo[d]imidazol-6-amine;N2-1H-Benzimidazol-6-yl-N4-(5-cyclopropyl-1H-pyrazol-3-yl)-2,4-pyrimidinediamine;APY29 (type I kinase inhibitor);N2-(1H-Benzo[d]imidazol-6-yl)-N4-(3-cyc
사양 및 순도
10mM in DMSO
생화학 및 생리적 메커니즘
Allosteric modulator of IRE1α. Inhibits IRE1αautophosphorylation (IC50= 280 nM) and activates IRE1αribonuclease activity.APY29 is a small molecule that inhibits the kinase activity of IRE1α (in vitro autophosphorylation IC50 = 280 nM) by targeting its act
보관 조건
Store at -80°C
배송
Dry ice packs + Cold packs
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작업 유형
INHIBITOR
이름과 식별자
Pubchem Sid528763117
정식 스마일C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CN5
IUPAC Name2-N-(3H-benzimidazol-5-yl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
InChIKeyWJNBSTLIALIIEW-UHFFFAOYSA-N
INCHI1S/C17H16N8/c1-2-10(1)13-8-16(25-24-13)22-15-5-6-18-17(23-15)21-11-3-4-12-14(7-11)20-9-19-12/h3-10H,1-2H2,(H,19,20)(H3,18,21,22,23,24,25)
이성체 SMILES C1CC1C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC5=C(C=C4)N=CN5
분자량 332.36
Reaxy-Rn 29219298
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29219298&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
분류Benzimidazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzimidazoles
Alternative Parents Aminopyrimidines and derivatives  Imidolactams  Benzenoids  Pyrazoles  Imidazoles  Heteroaromatic compounds  Secondary amines  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzimidazole - Aminopyrimidine - Pyrimidine - Benzenoid - Imidolactam - Pyrazole - Imidazole - Azole - Heteroaromatic compound - Secondary amine - Azacycle - Organic nitrogen compound - Amine - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(비인간)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
녹는점(°C)>280°C
분자량332.400 g/mol
XLogP32.700
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass332.15 Da
Monoisotopic Mass332.15 Da
Topological Polar Surface Area107.000 Ų
Heavy Atom Count25
Formal Charge0
Complexity458.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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