VBIT-4 - 10mM in DMSO , CAS No.2086257-77-2

CAS: 2086257-77-2 Cat. No.: V422527 Peso molecular: 457.87 Número EC: 829-870-7 PubChem CID: 126697666

GRADE & PURITY 10mM in DMSO

Synonyms

N-(4-chlorophenyl)-4-hydroxy-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]butanamide | SCHEMBL18641899 | Z2074895470 | EX-A5330 | N-(4-chlorophenyl)-4-hydroxy-3-{4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl}butanamide | QYSQXVAEFPWMEM-UHFFFAOYSA-N | EN

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

VBIT-4 VBIT-4 is a voltage-dependent anion channel (VDAC) oligomerization inhibitor that decreases mitochondrial DNA (mtDNA) release, type I interferon (IFN) signaling, neutrophil extracellular traps, and disease severity in a mouse model of systemic lupus erythematosus.

Targets

VDAC ; mtDNA ; IFN

Specifications

Sinónimos

N-(4-chlorophenyl)-4-hydroxy-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]butanamide | SCHEMBL18641899 | Z2074895470 | EX-A5330 | N-(4-chlorophenyl)-4-hydroxy-3-{4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl}butanamide | QYSQXVAEFPWMEM-UHFFFAOYSA-N | EN

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

VBIT-4 is a voltage-dependent anion channel (VDAC) oligomerization inhibitor that decreases mitochondrial DNA (mtDNA) release, type I interferon (IFN) signaling, neutrophil extracellular traps, and disease severity in a mouse model of systemic lupus eryth

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1C2=CC=C(C=C2)OC(F)(F)F)C(CC(=O)NC3=CC=C(C=C3)Cl)CO
• IUPAC Name: N-(4-chlorophenyl)-4-hydroxy-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]butanamide
• InChIKey: QYSQXVAEFPWMEM-UHFFFAOYSA-N
• INCHI: 1S/C21H23ClF3N3O3/c22-15-1-3-16(4-2-15)26-20(30)13-18(14-29)28-11-9-27(10-12-28)17-5-7-19(8-6-17)31-21(23,24)25/h1-8,18,29H,9-14H2,(H,26,30)
• Isómeros SMILES: C1CN(CCN1C2=CC=C(C=C2)OC(F)(F)F)C(CC(=O)NC3=CC=C(C=C3)Cl)CO
• PubChem CID: 126697666
• Peso molecular: 457.87

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Anilides Phenoxy compounds Phenol ethers N-arylamides Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines Chlorobenzenes N-acyl amines Trihalomethanes Trialkylamines Amino acids and derivatives Vinyl chlorides Enamines Chloroalkenes Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alcohols and polyols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Phenylpiperazine - Anilide - Phenoxy compound - Aniline or substituted anilines - Dialkylarylamine - N-arylamide - Tertiary aliphatic/aromatic amine - Phenol ether - N-alkylpiperazine - Halobenzene - Chlorobenzene - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Trihalomethane - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Enamine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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

Propiedades químicas y físicas

• Peso molecular: 457.900 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 457.138 Da
• Monoisotopic Mass: 457.138 Da
• Topological Polar Surface Area: 65.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 560.000
• 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

Referencias

1. You Yi-ping, Yan Liang, Ke Hua-yu, Li Ya-ping, Shi Zi-jian, Zhou Zhi-ya, Yang Hai-yan, Yuan Tao, Gan Ying-qing, Lu Na, Xu Li-hui, Hu Bo, Ou-Yang Dong-yun, Zha Qing-bing, He Xian-hui.  (2024)  Baicalin inhibits PANoptosis by blocking mitochondrial Z-DNA formation and ZBP1-PANoptosome assembly in macrophages.  ACTA PHARMACOLOGICA SINICA,      [PMID:39223367] [10.1038/s41401-024-01376-8]

2. Jinpeng Lv, Huansha Zhang, Wenhao Yu, Peiwen Jiang, Chuanwei Yin, Wenhui Xu, Yan Cao, Rongyin Gao.  (2026)  Targeting VDAC1-dependent mtDNA release attenuates fibroblast innate immune activation and vitiligo pathogenesis.  INTERNATIONAL IMMUNOPHARMACOLOGY,      [PMID:41722540] [10.1016/j.intimp.2026.116411]

3. Lv Jinpeng, Xu Wenhui, Jiang Peiwen, Yu Wenhao, Xue Hui, Hu Nan, Cao Yan, Zhang Huansha, Yin Chuanwei, Gao Rongyin.  (2026)  Mitochondrial DNA release via VDAC1 in keratinocytes: a key driver of innate immunity and vitiligo pathogenesis.  Cell Death & Disease,      [PMID:] [10.1038/s41419-026-08585-5]