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THIQ-40

CAT: 0013-GTR19209811-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209811-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
THIQ-40 is a potent and orally bioavailable selective estrogen receptor degrader (SERD) and ERα antagonist. It demonstrates significant antitumor efficacy in vivo, making it a valuable research tool for studying hormone-dependent cancers like breast cancer in both cellular and animal models.
CAS Number
1799430-91-3
Smiles
CC1 (N (CCC=2C1=CC=C (O) C2) C3=CC=C (C (C) C) C=C3) C4=CC=C (/C=C/C (O) =O) C=C4
Molecular Formula
C28H29NO3
Molecular Weight
427.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tetrahydroisoquinoline 40
CAS Number1799430-91-3
PubChem CID118166622
IUPAC Name(E)-3-[4-[6-hydroxy-1-methyl-2-(4-propan-2-ylphenyl)-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoic acid
Molecular FormulaC28H29NO3
Molecular Weight427.5
XLogP6.2
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity660
SMILES
CC(C)C1=CC=C(C=C1)N2CCC3=C(C2(C)C4=CC=C(C=C4)/C=C/C(=O)O)C=CC(=C3)O
InChI
InChI=1S/C28H29NO3/c1-19(2)21-7-11-24(12-8-21)29-17-16-22-18-25(30)13-14-26(22)28(29,3)23-9-4-20(5-10-23)6-15-27(31)32/h4-15,18-19,30H,16-17H2,1-3H3,(H,31,32)/b15-6+
InChIKey
HKXVKUOGCLJVEZ-GIDUJCDVSA-N
Chemical Structure
2D Structure
2D structure of Tetrahydroisoquinoline 40
CAS: 1799430-91-3
CID: 118166622
Formula: C28H29NO3
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass427.21474379
Monoisotopic Mass427.21474379
Topological Polar Surface Area60.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity660
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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