C646

CAT: 0804-HY-13823-04Size: 20 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-13823-04Size:20 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

C646 is a selective and competitive histone acetyltransferase p300 inhibitor with Ki of 400 nM, and is less potent for other acetyltransferases[1].

CAS Number

328968-36-1

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

Apoptosis; Autophagy; Epigenetic Reader Domain; Histone Acetyltransferase

Type

Reference compound

Related Pathways

Apoptosis; Autophagy; Epigenetics

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/C646.html

Purity

99.88

Solubility

DMSO : 13.89 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

O=C(O)C1=CC=C(N2N=C(C)/C(C2=O)=C\C3=CC=C(C4=CC(C)=C(C)C=C4[N+]([O-])=O)O3)C=C1

Molecular Formula

C24H19N3O6

Molecular Weight

445.42

Precautions

H302, H315, H319, H335

References & Citations

[1]Bowers EM, et al. Virtual ligand screening of the p300/CBP histone acetyltransferase: identification of a selective small molecule inhibitor. Chem Biol. 2010 May 28;17 (5) :471-82.|[2]Oike T, et al. C646, a selective small molecule inhibitor of histone acetyltransferase p300, radiosensitizes lung cancer cells by enhancing mitotic catastrophe. Radiother Oncol. 2014 May;111 (2) :222-7.|[3]Zheng WW, et al. EDAG positively regulates erythroid differentiation and modifies GATA1 acetylation through recruiting p300. Stem Cells. 2014 Aug;32 (8) :2278-89.|[4]Zhen Fan, et al. Type 2 diabetes-induced overactivation of P300 contributes to skeletal muscle atrophy by inhibiting autophagic flux. Life Sci. 2020 Aug 10;258:118243.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

CBP/p300

Chemical Information

4-(4-((5-(4,5-Dimethyl-2-nitrophenyl)-2-furanyl)methylene)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzoic acid

a potent and specific inhibitor of p300/CBP HAT activity

CAS Number	328968-36-1
PubChem CID	2871948
IUPAC Name	4-[4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Molecular Formula	C24H19N3O6
Molecular Weight	445.4
XLogP	4.2
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	33
Formal Charge	0
Complexity	857

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

InChI

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)

InChIKey

HEKJYZZSCQBJGB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 328968-36-1

CID: 2871948

Formula: C24H19N3O6

MW: 445.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	445.4
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	445.12738533
Monoisotopic Mass	445.12738533
Topological Polar Surface Area	129 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	857
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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C014995	C646

C646

Chemical Information

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