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KDM2/7-IN-1

CAT: 0804-HY-107573Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107573Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KDM2/7-IN-1 (TC-E 5002) is a selective histone demethylase KDM2/7 subfamily inhibitor (IC50 values are 0.2, 1.2, 6.8, 55, 83, >100 and >120 μM for KDM7A, KDM7B, KDM2A, KDM5A, KDM4C, KDM6A and KDM4A respectively) . KDM2/7-IN-1 inhibits growth of HeLa and KYSE-150 cancer cells in vitro[1].
CAS Number
1453071-47-0
UNSPSC
12352211
Hazard Statement
H315, H319
Target
Histone Demethylase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/kdm2-7-in-1.html
Purity
99.9
Solubility
DMSO : 30 mg/mL (ultrasonic)
Smiles
OC(CCN(O)C(CCCCCCCCC1CC1)=O)=O
Molecular Formula
C15H27NO4
Molecular Weight
285.38
Precautions
H315, H319
References & Citations
[1]Suzuki T, et al. Identification of the KDM2/7 histone lysine demethylase subfamily inhibitor and its antiproliferative activity. J Med Chem. 2013 Sep 26;56 (18) :7222-31.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
KDM2; KDM4; KDM7

Chemical Information

N-(9-Cyclopropyl-1-oxononyl)-N-hydroxy-beta-alanine
CAS Number1453071-47-0
PubChem CID71735843
IUPAC Name3-[9-cyclopropylnonanoyl(hydroxy)amino]propanoic acid
Molecular FormulaC15H27NO4
Molecular Weight285.38
XLogP3.4
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count20
Formal Charge0
Complexity302
SMILES
C1CC1CCCCCCCCC(=O)N(CCC(=O)O)O
InChI
InChI=1S/C15H27NO4/c17-14(16(20)12-11-15(18)19)8-6-4-2-1-3-5-7-13-9-10-13/h13,20H,1-12H2,(H,18,19)
InChIKey
NEHSERYKENINRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(9-Cyclopropyl-1-oxononyl)-N-hydroxy-beta-alanine
CAS: 1453071-47-0
CID: 71735843
Formula: C15H27NO4
MW: 285.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.38
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass285.19400834
Monoisotopic Mass285.19400834
Topological Polar Surface Area77.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity302
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

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