Products for Research Use Only

CKD-712

CAT: 0013-GTR19197888-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197888-01Size:25 mg
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Description
CKD-712 is a selective NF-κB inhibitor that suppresses MMP-9 expression and induces G2/M cell cycle arrest by downregulating cyclin A, cyclin B, and CDK1. It is used in cancer metastasis research, with studies demonstrating its effects in both in vitro and in vivo experimental models.
CAS Number
626252-75-3
Smiles
C ([C@H]1C=2C (=CC (O) =C (O) C2) CCN1) C=3C4=C (C=CC3) C=CC=C4
Molecular Formula
C20H19NO2
Molecular Weight
305.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ckd-712
CAS Number626252-75-3
PubChem CID9861304
IUPAC Name(1S)-1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Molecular FormulaC20H19NO2
Molecular Weight305.4
XLogP3.9
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity401
SMILES
C1CN[C@H](C2=CC(=C(C=C21)O)O)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H19NO2/c22-19-11-15-8-9-21-18(17(15)12-20(19)23)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,11-12,18,21-23H,8-10H2/t18-/m0/s1
InChIKey
YGCQFKVNIBDJFW-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Ckd-712
CAS: 626252-75-3
CID: 9861304
Formula: C20H19NO2
MW: 305.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight305.4
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass305.141578849
Monoisotopic Mass305.141578849
Topological Polar Surface Area52.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes