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Taragarestrant

CAT: 0931-T63097-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T63097-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2118899-51-5
Target
Others, Estrogen Receptor/ERR
Related Pathways
Others, Endocrinology/Hormones
Bioactivity
Taragarestrant (D-0502) is an orally active estrogen receptor degrader with anticancer activity. taragarestrant exhibits anti-proliferative effects on estrogen receptor positive breast cancer cell lines. taragarestrant can be used in cancer research.
Smiles
C(C(C)(C)F)N1[C@@H](C2=C(C=3C(N2)=CC=CC3)C[C@H]1C)C4=C(Cl)C=C(/C=C/C(O)=O)C=C4Cl
Molecular Formula
C25H25Cl2FN2O2
Molecular Weight
475.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Taragarestrant

Taragarestrant is a small molecule drug. Taragarestrant is under investigation in clinical trial NCT06954961 (A Study to Evaluate D-0502 in Subjects With ER+ Her2- Locally Advanced or Metastatic Breast Cancer). Taragarestrant has a monoisotopic molecular weight of 474.13 Da.

CAS Number2118899-51-5
PubChem CID130330722
IUPAC Name(E)-3-[3,5-dichloro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid
Molecular FormulaC25H25Cl2FN2O2
Molecular Weight475.4
XLogP4
Topological Polar Surface Area56.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity708
SMILES
C[C@@H]1CC2=C([C@H](N1CC(C)(C)F)C3=C(C=C(C=C3Cl)/C=C/C(=O)O)Cl)NC4=CC=CC=C24
InChI
InChI=1S/C25H25Cl2FN2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1
InChIKey
PSJRZBBUWGIUPM-BBNFHIFMSA-N
Chemical Structure
2D Structure
2D structure of Taragarestrant
CAS: 2118899-51-5
CID: 130330722
Formula: C25H25Cl2FN2O2
MW: 475.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.4
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass474.1277116
Monoisotopic Mass474.1277116
Topological Polar Surface Area56.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity708
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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