Name: Bentamapimod - Moligand™, ≥98% , c-Jun N-terminal kinase, JNK inhibitor, CAS No.848344-36-5, c-Jun N-terminal kinase, JNK inhibitor
SKU: B338598
Availability: InStock

Bentamapimod - Moligand™, ≥98% , c-Jun N-terminal kinase, JNK inhibitor, CAS No.848344-36-5, c-Jun N-terminal kinase, JNK inhibitor

CAS: 848344-36-5 Cat. No.: B338598 분자식: C₂₅H₂₃N₅O₂S 분자량: 457.55 EC 번호: 805-471-3

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Bentamapimod - Moligand™, ≥98% CAS No(848344-36-5) by Aladdin Scientific

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주문 가능

GRADE & PURITY Moligand™ ? ≥98%

Synonyms

Bentamapimod (Tautomer) | SB17178 | AS602801 | AS-602801 | SMR004701342 | TT3L4B4U0N | BCP28061 | BDBM50601418 | GTPL9926 | NSC274254 | AS 602801(Bentamapimod) | AS 602801 | MLS006010270 | Bentamapimod | HY-14761 | AC-35973 | PGL5001 | PGL-5001 | SCHEMBL2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요 Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

개요

Bentamapimod is a selective JNK (Jun kinase) inhibitor that has been found to be active via oral administration. The small molecule blocks T-cell proliferation and induces apoptosis.

Specifications

동의어

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

AS602801 (Bentamapimod, PGL5001) is an orally active, ATP-competitive, potent and selective c-Jun N-terminal kinase (JNK) inhibitor (JNK1/2/3 IC50 = 80/90/230 nM). AS602801 decreases MMP-3 upregulation in endometrium cultures from patients with endometrio

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

c-Jun N-terminal kinase, JNK inhibitor

순수함

≥98%

이름과 식별자

Pubchem Sid

488196575

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196575

정식 스마일

C1COCCN1CC2=CC=C(C=C2)COC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

IUPAC Name

2-(1,3-benzothiazol-2-yl)-2-[2-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]pyrimidin-4-yl]acetonitrile

InChIKey

XCPPIJCBCWUBNT-UHFFFAOYSA-N

INCHI

1S/C25H23N5O2S/c26-15-20(24-28-22-3-1-2-4-23(22)33-24)21-9-10-27-25(29-21)32-17-19-7-5-18(6-8-19)16-30-11-13-31-14-12-30/h1-10,20H,11-14,16-17H2

이성체 SMILES

C1COCCN1CC2=CC=C(C=C2)COC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

분자량

457.55

Reaxy-Rn

11752391

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11752391&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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 분류 Benzothiazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
분류	Benzothiazoles
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzothiazoles
Alternative Parents	Phenylmethylamines Benzylamines Aralkylamines Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Morpholines Thiazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1,3-benzothiazole - Benzylamine - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyrimidine - Benzenoid - Thiazole - Azole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Nitrile - Carbonitrile - Dialkyl ether - Ether - Hydrocarbon derivative - Amine - Cyanide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
설명	This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
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

3D 구조

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리뷰

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

Lot Number	Certificate Type	날짜	항목
E2318263	Certificate of Analysis	Apr 04, 2023	B338598
E2318265	Certificate of Analysis	Apr 04, 2023	B338598
E2318267	Certificate of Analysis	Apr 04, 2023	B338598
E2318268	Certificate of Analysis	Apr 04, 2023	B338598
E2318270	Certificate of Analysis	Apr 04, 2023	B338598
E2318273	Certificate of Analysis	Apr 04, 2023	B338598
E2318275	Certificate of Analysis	Apr 04, 2023	B338598
E2318282	Certificate of Analysis	Apr 04, 2023	B338598
E2318284	Certificate of Analysis	Apr 04, 2023	B338598
E2318285	Certificate of Analysis	Apr 04, 2023	B338598
E2517056	Certificate of Analysis	Apr 04, 2023	B338598

용해성	insoluble in H2O; insoluble in EtOH; ≥11.45 mg/mL in DMSO
굴절률	n20D1.67 (Predicted)
끓는점(°C)	666.5° C at 760 mmHg (Predicted)
분자량	457.500 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	457.157 Da
Monoisotopic Mass	457.157 Da
Topological Polar Surface Area	112.000 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	660.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1