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ACS03

CAT: 0013-GTR19275068-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275068-02Size:50 mg
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Description
ACS03 is a hybrid compound of thiophene-acridine. It can induce increased activity of lactate dehydrogenase (lactate dehydrogenase), glutathione S-transferase, and AChE. ACS03 demonstrates antileishmanial activity and exhibits selective anticancer effects against colon cancer.
CAS Number
2227022-64-0
Smiles
N#CC1=C (SC2=C1CCCCC2) NC3=C4C=CC (Cl) =CC4=NC=5C=CC (OC) =CC53
Molecular Formula
C24H20ClN3OS
Molecular Weight
433.95
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[(6-chloro-2-methoxyacridin-9-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
CAS Number2227022-64-0
PubChem CID168298702
IUPAC Name2-[(6-chloro-2-methoxyacridin-9-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Molecular FormulaC24H20ClN3OS
Molecular Weight434.0
XLogP7.7
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity656
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=C(C5=C(S4)CCCCC5)C#N
InChI
InChI=1S/C24H20ClN3OS/c1-29-15-8-10-20-18(12-15)23(17-9-7-14(25)11-21(17)27-20)28-24-19(13-26)16-5-3-2-4-6-22(16)30-24/h7-12H,2-6H2,1H3,(H,27,28)
InChIKey
WDRAXDIHCZFYCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(6-chloro-2-methoxyacridin-9-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
CAS: 2227022-64-0
CID: 168298702
Formula: C24H20ClN3OS
MW: 434.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight434.0
XLogP37.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass433.1015611
Monoisotopic Mass433.1015611
Topological Polar Surface Area86.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity656
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-177958ACS03