Products for Research Use Only
RegisterLogin

GnRH-R antagonist 1

CAT: 0013-GTR19212750-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19212750-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Compound 21a is a potent, orally bioavailable GnRH receptor antagonist with high binding affinity (IC50=0.57 nM) and in vitro efficacy (IC50=2.18 nM) . It is a research tool for studying advanced prostate cancer and for the prevention of premature luteinizing hormone surges in assisted reproductive technology protocols.
CAS Number
2826273-90-7
Field of Research
Pharmacology & Drug Discovery
Smiles
CN (CCOC (F) (F) F) CC1=C (SC2=C1C (=O) N (C (=O) N2CC3=C (C=CC=C3F) F) C4=NN=C (C=C4) OC) C5=CC=C (C=C5) NC (=O) NOC
Molecular Formula
C31H28F5N7O6S
Molecular Weight
721.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GnRH-R antagonist 1
CAS Number2826273-90-7
PubChem CID165412728
IUPAC Name1-[4-[1-[(2,6-difluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)-5-[[methyl-[2-(trifluoromethoxy)ethyl]amino]methyl]-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]phenyl]-3-methoxyurea
Molecular FormulaC31H28F5N7O6S
Molecular Weight721.7
XLogP4.3
Topological Polar Surface Area167
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Heavy Atom Count50
Formal Charge0
Complexity1160
SMILES
CN(CCOC(F)(F)F)CC1=C(SC2=C1C(=O)N(C(=O)N2CC3=C(C=CC=C3F)F)C4=NN=C(C=C4)OC)C5=CC=C(C=C5)NC(=O)NOC
InChI
InChI=1S/C31H28F5N7O6S/c1-41(13-14-49-31(34,35)36)15-20-25-27(44)43(23-11-12-24(47-2)39-38-23)30(46)42(16-19-21(32)5-4-6-22(19)33)28(25)50-26(20)17-7-9-18(10-8-17)37-29(45)40-48-3/h4-12H,13-16H2,1-3H3,(H2,37,40,45)
InChIKey
DHHVWOROTLFBDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GnRH-R antagonist 1
CAS: 2826273-90-7
CID: 165412728
Formula: C31H28F5N7O6S
MW: 721.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight721.7
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Exact Mass721.17419362
Monoisotopic Mass721.17419362
Topological Polar Surface Area167 Ų
Heavy Atom Count50
Formal Charge0
Complexity1160
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

Related Products

CatalogName
GTR19273443-01GnRH-R antagonist-3
GTR19273228-01GnRH-R antagonist-2
GTR19190963-01GnRH antagonist 2
GTR19150354-01GnRH antagonist 3
GTR19236225-01(R) -Sortilin antagonist 1
GTR19205233OT-R antagonist 1
GTR19262216-01NPFF1-R antagonist 1
GTR18052041-01GnRH-R rabbit pAb Antibody
GTR19263185-01(E/Z) -OT-R antagonist 1
GTR19205234-01OT-R antagonist 2

Alternative Products

CatalogName
HY-178419GnRH-R antagonist-3
MBS5814862GnRH-R antagonist 1
HY-178418GnRH-R antagonist-2
JTC82361-01Gnrh antagonist 2
HY-P5897GnRH antagonist 3
HY-15015A-01OT-R antagonist 2
HY-15015-01OT-R antagonist 1
HY-145193A(R) -MrgprX2 antagonist-3
HY-148650A-01(R) -Sortilin antagonist 1
030-25Peptide R / CXCR4 Antagonist

Popular Products