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CIA1

CAT: 1568-C01555-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C01555-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1049691-47-5
Synonyms
COUP-TFII inhibitor A1
SKU
C01555-5mg
Target
Others
Applications
Others
Additionnal Information
CIA 1 (COUP-TFII inhibitor A1) is a specific inhibitor of the nuclear receptor COUP-TFII with IC50 of 1.2 μM to 7.6 μM in prostate cancer cell lines.
Storage Conditions
3 years -20°C powder

Chemical Information

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CAS Number1049691-47-5
PubChem CID2974648
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.9
Topological Polar Surface Area84.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity374
SMILES
CC1=CC2=C(N=CN=C2S1)NCCC3=CC(=C(C=C3)OC)OC.Cl
InChI
InChI=1S/C17H19N3O2S.ClH/c1-11-8-13-16(19-10-20-17(13)23-11)18-7-6-12-4-5-14(21-2)15(9-12)22-3;/h4-5,8-10H,6-7H2,1-3H3,(H,18,19,20);1H
InChIKey
PYRMFONFWQTEGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CAS: 1049691-47-5
CID: 2974648
Formula: C17H20ClN3O2S
MW: 365.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass365.0964758
Monoisotopic Mass365.0964758
Topological Polar Surface Area84.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity374
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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