C 646 - Moligand™, ≥98% , Inhibitor of E1A binding protein p300, CAS No.328968-36-1, Inhibitor of E1A binding protein p300

CAS: 328968-36-1 Cat. No.: C274682 Molecular Weight: 445.42 EC Number: 687-885-2

GRADE & PURITY Moligand™, ≥98%

Synonyms

4-[4-[[5-(4,5-Dimethyl-2-nitrophenyl)-2-furanyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid | CHEBI:132974 | Q27075626 | BRD-K73383190-001-03-1 | GTPL7004 | 4-(4-{[5-(4,5-dimethyl-2-nitrophenyl)-2-furyl]methylene}-3-methyl-5-oxo-4,5

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

C646 was used to study the role of p300 in chronic neuropathic pain in rats with chronic constriction injury.

Specifications

Synonyms

4-[4-[[5-(4, 5-Dimethyl-2-nitrophenyl)-2-furanyl]methylene]-4, 5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid | CHEBI:132974 | Q27075626 | BRD-K73383190-001-03-1 | GTPL7004 | 4-(4-{[5-(4, 5-dimethyl-2-nitrophenyl)-2-furyl]methylene}-3-methyl-5-oxo-4, 5

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

C646 is a potent, cell permeable and selective inhibitor of p300 and CBP (p300/CBP) histone acetyltransferases. Inhibition of p300/CBP by C646 affects the activity of a variety of transcriptional factors such as NF-κB, p53 and MyoD that are associated wit

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of E1A binding protein p300

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504760460
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760460
• Canonical Smiles: CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C
• IUPAC Name: 4-[(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
• InChIKey: HEKJYZZSCQBJGB-UNOMPAQXSA-N
• INCHI: 1S/C24H19N3O6/c1-13-10-20(21(27(31)32)11-14(13)2)22-9-8-18(33-22)12-19-15(3)25-26(23(19)28)17-6-4-16(5-7-17)24(29)30/h4-12H,1-3H3,(H,29,30)/b19-12-
• Isomeric SMILES: CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C
• Molecular Weight: 445.42
• Reaxy-Rn: 20607912
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20607912&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acylaminobenzoic acid and derivatives
• Alternative Parents: Benzoic acids Nitrobenzenes Nitrotoluenes o-Xylenes Benzoyl derivatives Nitroaromatic compounds Pyrazolones Furans Heteroaromatic compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Oxacyclic compounds Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - O-xylene - Xylene - Pyrazolinone - Furan - Heteroaromatic compound - Pyrazoline - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Oxacycle - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
• 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

Associated Targets(Human)

EP300 Tchem Histone acetyltransferase p300 (7 Activities)

Discover Target: EP300

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 25 mM
• Molecular Weight: 445.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 445.127 Da
• Monoisotopic Mass: 445.127 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 857.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Guo Xiaoyu, Zhong Jinjing, Qian Jingyu, Pan Xiuyi, Zhang Xinyue, Chen Xueqin, Zeng Hao, Chen Ni, Nie Ling, Yu Ting, Zhou Qiao.  (2025)  tRF-21LeuTAA Promotes Oxidative Stress by Altering Glutathione Metabolic Enzymes to Support Prostate Cancer Progression.  CANCER RESEARCH,      [PMID:40882020] [10.1158/0008-5472.CAN-25-0273]

2. Yu Cao, Yang Zhao, Tan Deng, Qigang Zhou, Gang Hu, Zhuang-Li Hu, Yan-Yi Jiang, Xiao-Han Yang, Fang Wang, Peng-Fei Wu, Jian-Guo Chen.  (2025)  Hepatic acetyl-CoA metabolism modulates neuroinflammation and depression susceptibility via acetate.  Cell Metabolism,      [PMID:40992374] [10.1016/j.cmet.2025.08.010]

3. Xiaoqi Wang, Shuang Liu, Di Su, Jiayu Sui, Xiangyu Yan, Jia Yang, Ziqi Zheng, Penghe Wang, Weijun Song, Zexi Jin, Mingyan E, Maomao Zhang, Bo Yu.  (2025)  Alpha-lipoic acid attenuates cardiac inflammation of CVB3 induced viral myocarditis via neutrophil-derived YM-1.  BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR BASIS OF DISEASE,      [PMID:40925469] [10.1016/j.bbadis.2025.168034]

4. Ming-Yue Bao, Xiu-Qing Li, Qing-Qing Sun, Yan He, Yu-Jing Yin, Si-Han Li, Ruo-Yan Du, Gai-Xin Ma, Chen-Yu Feng, Bing Han, Rui Jia, Xuan Wang, Li-Bin Wang, Ya-Ping Yan, Xing Li, Yuan Zhang.  (2026)  Oligodendrocyte-encoded lactate dehydrogenase A couples glycolysis to remyelination via protein lactylation.  NEURON,      [PMID:41844160] [10.1016/j.neuron.2026.02.032]