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Org 43553

CAT: 0931-T63572-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63572-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
501444-88-8
Target
Others, GNRH Receptor, Estrogen Receptor/ERR
Related Pathways
Endocrinology/Hormones, GPCR/G Protein, Others
Bioactivity
Org 43553 is an orally active, low molecular weight (LMW) luteinizing hormone receptor (LH-R) agonist that activates human LH receptors (EC50: 3.7 nM) and FSH receptors (EC50: 110 nM) . Org 43553 can be used for endocrine studies.
Smiles
NC=1C2=C(N=C(SC)N=C2SC1C(NC(C)(C)C)=O)C3=CC(NC(CN4CCOCC4)=O)=CC=C3
Molecular Formula
C24H30N6O3S2
Molecular Weight
514.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Amino-2-methylsulfanyl-4-(3-(2-morpholin-4-ylacetylamino)phenyl)thieno(2,3-d)pyrimidine-6-carboxylic acid tert-butylamide

a radioligand for LH receptors; structure in first source

CAS Number501444-88-8
PubChem CID9914457
IUPAC Name5-amino-N-tert-butyl-2-methylsulfanyl-4-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
Molecular FormulaC24H30N6O3S2
Molecular Weight514.7
XLogP3.4
Topological Polar Surface Area176
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity747
SMILES
CC(C)(C)NC(=O)C1=C(C2=C(N=C(N=C2S1)SC)C3=CC(=CC=C3)NC(=O)CN4CCOCC4)N
InChI
InChI=1S/C24H30N6O3S2/c1-24(2,3)29-21(32)20-18(25)17-19(27-23(34-4)28-22(17)35-20)14-6-5-7-15(12-14)26-16(31)13-30-8-10-33-11-9-30/h5-7,12H,8-11,13,25H2,1-4H3,(H,26,31)(H,29,32)
InChIKey
UWTXKCMCTINMHD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Amino-2-methylsulfanyl-4-(3-(2-morpholin-4-ylacetylamino)phenyl)thieno(2,3-d)pyrimidine-6-carboxylic acid tert-butylamide
CAS: 501444-88-8
CID: 9914457
Formula: C24H30N6O3S2
MW: 514.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.7
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass514.18208119
Monoisotopic Mass514.18208119
Topological Polar Surface Area176 Ų
Heavy Atom Count35
Formal Charge0
Complexity747
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

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