CBL0137 - ≥98% , CAS No.1197996-80-7

CAS: 1197996-80-7 Cat. No.: C412428 분자식: C₂₁H₂₄N₂O₂ 분자량: 336.43

GRADE & PURITY ≥98%

Synonyms

Pentaerythritol, sodium salt | 1,1'-{9-[2-(propan-2-ylamino)ethyl]-9H-carbazole-3,6-diyl}diethanone | 1-[6-acetyl-9-[2-(isopropylamino)ethyl]carbazol-3-yl]ethanone | cbl0137 | CBL-0137 | CBL-0137; CBL 0137; Curaxin 137 | 1197996-80-7 | Curaxin 137 | CBLC1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

CBL0137 CBL0137 (Curaxin-137) is an inhibitor of the histone chaperone FACT (facilitates chromatin transcription) that simultaneously suppresses NF-κB and activates p53 with EC50 of 0.47 μM and 0.37 μM, respectively.

Targets

FACT ; p53 (Cell-free assay); NF-κB (Cell-free assay) ; 0.37 μM(EC50); 0.47 μM(EC50)

Specifications

동의어

Pentaerythritol, sodium salt | 1,1'-{9-[2-(propan-2-ylamino)ethyl]-9H-carbazole-3,6-diyl}diethanone | 1-[6-acetyl-9-[2-(isopropylamino)ethyl]carbazol-3-yl]ethanone | cbl0137 | CBL-0137 | CBL-0137; CBL 0137; Curaxin 137 | 1197996-80-7 | Curaxin 137 | CBLC1

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

CBL0137 (Curaxin-137) is an inhibitor of the histone chaperone FACT (facilitates chromatin transcription) that simultaneously suppresses NF-κB and activates p53 with EC50 of 0.47 μM and 0.37 μM, respectively.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

제품 특성

• ALogP: 3.338
• hba_count: 2
• HBD 수: 1
• 회전 가능한 결합: 6

이름과 식별자

• Pubchem Sid: 504770359
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770359
• 정식 스마일: CC(C)NCCN1C2=C(C=C(C=C2)C(=O)C)C3=C1C=CC(=C3)C(=O)C
• IUPAC Name: 1-[6-acetyl-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone
• InChIKey: JKCSODVERGVDLT-UHFFFAOYSA-N
• INCHI: 1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3
• 이성체 SMILES: CC(C)NCCN1C2=C(C=C(C=C2)C(=O)C)C3=C1C=CC(=C3)C(=O)C
• 분자량: 336.43
• Reaxy-Rn: 24576552
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24576552&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: N-alkylindoles Indoles Acetophenones Aryl alkyl ketones Substituted pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - N-alkylindole - Acetophenone - Indole - Aryl ketone - Aryl alkyl ketone - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Ketone - Secondary amine - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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)

DNMT3A Tclin DNA (cytosine-5)-methyltransferase 3A (310 Activities)

Discover Target: DNMT3A

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 15 mg/mL (44.58 mM); Ethanol: 8 mg/mL (23.77 mM); Water: Insoluble
• DMSO(mg/mL) 최대 용해도: 15
• DMSO(mM) 최대 용해도: 44.5857979371637
• 물(mg/mL) 최대 용해도: ＜1
• 분자량: 336.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 336.184 Da
• Monoisotopic Mass: 336.184 Da
• Topological Polar Surface Area: 51.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 466.000
• 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

참고 문헌

1. Huang Zhiheng, Li Liangxian, Zhang Bingxi, Yao Dong, Xiao Bo, Mo Biwen.  (2025)  Investigation of the mechanistic impact of CBL0137 on airway remodeling in asthma.  BMC Pulmonary Medicine,  25  (1): (1-13).  [PMID:40114084] [10.1186/s12890-025-03596-y]