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G9a-IN-1

CAT: 0804-HY-44062-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-44062-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
G9a-IN-1 (Compound 113) is a G9a protein inhibitor. G9A/EHMT2 is a nuclear histone lysine methyltransferase that catalyzes histone H3 lysine 9 dimethylation (H3K9me2), which is a reversible modification generally associated with transcriptional gene silencing. G9a-IN-1 can be used for the research of autoimmune disorders or cancer[1].
CAS Number
1350752-07-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Histone Methyltransferase
Type
Reference compound
Related Pathways
Epigenetics
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Cancer
Assay Protocol
https://www.medchemexpress.com/g9a-in-1.html
Purity
98.12
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(N1CCC(NC2=C3C=C(OC)C(OCCCN4CCCC4)=CC3=NC(Cl)=N2)CC1)C
Molecular Formula
C24H36ClN5O2
Molecular Weight
462.03
Precautions
H302, H315, H319, H335
References & Citations
[1]Dimitrios Iliopoulos, et al. Small molecules for the treatment of autoimmune diseases and cancer. WO2022031939A1
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EHMT2/G9a/KMT1C

Chemical Information

2-chloro-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine
CAS Number1350752-07-6
PubChem CID53474404
IUPAC Name2-chloro-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
Molecular FormulaC24H36ClN5O2
Molecular Weight462.0
XLogP5
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity557
SMILES
CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)Cl
InChI
InChI=1S/C24H36ClN5O2/c1-17(2)30-12-7-18(8-13-30)26-23-19-15-21(31-3)22(16-20(19)27-24(25)28-23)32-14-6-11-29-9-4-5-10-29/h15-18H,4-14H2,1-3H3,(H,26,27,28)
InChIKey
GHTIAKXLWWMKSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine
CAS: 1350752-07-6
CID: 53474404
Formula: C24H36ClN5O2
MW: 462.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.0
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass461.2557531
Monoisotopic Mass461.2557531
Topological Polar Surface Area62.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity557
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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