Products for Research Use Only
RegisterLogin

CYP1A1-IN-1

CAT: 0804-HY-174333Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-174333Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
CYP1A1-IN-1 (Compound 47) is a small-molecule cytochrome P4501A1 (CYP1A1) inhibitor. CYP1A1-IN-1 reduces the bacterial loads of methicillin-resistant Staphylococcus aureus (MRSA) and Acinetobacter baumannii by enhancing macrophage phagocytosis. CYP1A1-IN-1 is promising for research of sepsis caused by multidrug-resistant (MDR) bacteria[1].
CAS Number
3065926-17-9
UNSPSC
12352005
Target
Bacterial; Cytochrome P450
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Field of Research
Infection; Cardiovascular Disease
Smiles
O=C1N(C2=CC=C(C=C2N1C)C(/C=C/C3=CC=CC=C3C#C)=O)C
Molecular Formula
C20H16N2O2
Molecular Weight
316.35
References & Citations
[1]Wang F, et al. Discovery of CYP1A1 Inhibitors for Host-Directed Therapy against Sepsis. J Med Chem. 2025 Jun 12;68 (11) :11606-11627.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CYP1

Chemical Information

5-[(E)-3-(2-ethynylphenyl)prop-2-enoyl]-1,3-dimethylbenzimidazol-2-one
CAS Number3065926-17-9
PubChem CID178203359
IUPAC Name5-[(E)-3-(2-ethynylphenyl)prop-2-enoyl]-1,3-dimethylbenzimidazol-2-one
Molecular FormulaC20H16N2O2
Molecular Weight316.4
XLogP2.9
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity588
SMILES
CN1C2=C(C=C(C=C2)C(=O)/C=C/C3=CC=CC=C3C#C)N(C1=O)C
InChI
InChI=1S/C20H16N2O2/c1-4-14-7-5-6-8-15(14)10-12-19(23)16-9-11-17-18(13-16)22(3)20(24)21(17)2/h1,5-13H,2-3H3/b12-10+
InChIKey
HPTNMIXNZZCYCE-ZRDIBKRKSA-N
Chemical Structure
2D Structure
2D structure of 5-[(E)-3-(2-ethynylphenyl)prop-2-enoyl]-1,3-dimethylbenzimidazol-2-one
CAS: 3065926-17-9
CID: 178203359
Formula: C20H16N2O2
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass316.121177757
Monoisotopic Mass316.121177757
Topological Polar Surface Area40.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-120377-01CYP1A1 inhibitor 8a
HY-P87408CYP1A1 Antibody (YA7096, Mouse)
HY-E70468Human CYP1A1,High-Reductase
HY-E70472Human CYP1A1,Low-Reductase
HY-RS03441CYP1A1 Human Pre-designed siRNA Set A
HY-RS23174Cyp1a1 Rat Pre-designed siRNA Set A
HY-RS16737Cyp1a1 Mouse Pre-designed siRNA Set A
HY-173279CYP19A1-IN-1
HY-150557-01CYP1B1-IN-1
HY-156530-01CYP11A1-IN-1

Alternative Products

CatalogName
T211255-01CYP1A1-IN-1
559838-01CYP1A1
YP-W36864-01Rat CYP1A1 (CYP1A1) ELISA Kit
70R-16705CYP1A1 antibody
312589CYP1A1 discontinued
559841-01CYP1A1 (HRP)
sc-393979CYP1A1 (A-9)

Popular Products