Products for Research Use Only
RegisterLogin

8-CSC

CAT: 0931-T23587-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T23587-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
148589-13-3
Target
Others, Endogenous Metabolite
Related Pathways
Metabolism, Others
Bioactivity
8-CSC is a dual agent endowed with good hMAO-B inhibitory activity (Ki: 235 nM in baboon liver mitochondria) and A2A affinity (Ki: 36 nM in rat brain striatal membranes receptor) .
Smiles
CN1C2=C(N=C1C=CC3=CC(Cl)=CC=C3)N(C)C(=O)N(C)C2=O
Molecular Formula
C16H15ClN4O2
Molecular Weight
330.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8-(3-Chlorostyryl)caffeine

8-(3-chlorostyryl)caffeine is caffeine substituted at its 8-position by an (E)-3-chlorostyryl group. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor and an adenosine A2A receptor antagonist. It is a trimethylxanthine and a member of monochlorobenzenes. It is functionally related to a caffeine.

CAS Number148589-13-3
PubChem CID5353365
IUPAC Name8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
Molecular FormulaC16H15ClN4O2
Molecular Weight330.77
XLogP2.5
Topological Polar Surface Area58.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity526
SMILES
CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)/C=C/C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H15ClN4O2/c1-19-12(8-7-10-5-4-6-11(17)9-10)18-14-13(19)15(22)21(3)16(23)20(14)2/h4-9H,1-3H3/b8-7+
InChIKey
WBWFIUAVMCNYPG-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of 8-(3-Chlorostyryl)caffeine
CAS: 148589-13-3
CID: 5353365
Formula: C16H15ClN4O2
MW: 330.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.77
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass330.0883534
Monoisotopic Mass330.0883534
Topological Polar Surface Area58.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity526
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
T208801-01CSC-6
T73995-01EGFR/CSC-IN-1
TN61978,8''-Biskoenigine
TN32688,8''-Bibaicalein
T88781-01YT-8-8
T85355-01(-) -8,8-Dichlorocampherylsulfonyl-oxaziridine
T79068-01TLR7/8 agonist 8
T78885-01Aβ-IN-8
TN11411-017,8,7’,8’-Tetradehydroastaxanthin
TN3282-018-Hydroxyhyperforin 8,1-hemiacetal

Alternative Products

CatalogName
MBS57733518-CSC
GTR19261746-01CSC-6
HY-132883EGFR/CSC-IN-1
470183TIMP2 (CSC-21K)
GTR17963284Csc-1 Antibody
abx700287Rabbit Corneal Stromal Cells (CSC)
abx700286Goat Corneal Stromal Cells (CSC)
abx700285Dog Corneal Stromal Cells (CSC)
TRV-055478Primary Canine Corneal Stromal cells (CSC)
TRV-055670Primary Caprine Corneal Stromal cells (CSC)

Popular Products