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ZN-c5

CAT: 0013-GTR19242344-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242344-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ZN-c5 is a novel, orally bioavailable selective estrogen receptor degrader (SERD) for research use. It demonstrates potent anti-tumor activity in both cellular assays and animal models of estrogen receptor-positive breast cancer.
CAS Number
2136606-87-4
Field of Research
Metabolism Research
Smiles
C[C@H]1N ([C@@H] (C2=C (C1) C=3C (N2) =CC=CC3) C4=C (F) C=C (/C=C/C (O) =O) C=C4F) C56CC (C5) C6
Molecular Formula
C26H24F2N2O2
Molecular Weight
434.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E)-3-[4-[(1R,3R)-2-(1-Bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]prop-2-enoic acid
CAS Number2136606-87-4
PubChem CID131979190
IUPAC Name(E)-3-[4-[(1R,3R)-2-(1-bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]prop-2-enoic acid
Molecular FormulaC26H24F2N2O2
Molecular Weight434.5
XLogP2.7
Topological Polar Surface Area56.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity761
SMILES
C[C@@H]1CC2=C([C@H](N1C34CC(C3)C4)C5=C(C=C(C=C5F)/C=C/C(=O)O)F)NC6=CC=CC=C26
InChI
InChI=1S/C26H24F2N2O2/c1-14-8-18-17-4-2-3-5-21(17)29-24(18)25(30(14)26-11-16(12-26)13-26)23-19(27)9-15(10-20(23)28)6-7-22(31)32/h2-7,9-10,14,16,25,29H,8,11-13H2,1H3,(H,31,32)/b7-6+/t14-,16?,25-,26?/m1/s1
InChIKey
HGFYTUMJTQXEII-JMAUQWQESA-N
Chemical Structure
2D Structure
2D structure of (E)-3-[4-[(1R,3R)-2-(1-Bicyclo[1.1.1]pentanyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-3,5-difluorophenyl]prop-2-enoic acid
CAS: 2136606-87-4
CID: 131979190
Formula: C26H24F2N2O2
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass434.18058434
Monoisotopic Mass434.18058434
Topological Polar Surface Area56.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity761
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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