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DS37571084

CAT: 0013-GTR19273513-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273513-02Size:10 mg
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Description
DS37571084 is a potent oral antagonist of the parathyroid hormone receptor type 1 (PTHR1) with an IC50 value of 0.17 μM. It is applicable for research in hyperparathyroidism.
CAS Number
2460353-87-9
Smiles
O=C1N (C2=CC=C (C=C2) NCCNC3CCOCC3) C=4C=C (Cl) C=CC4C5=CC (Cl) =CN=C5C1 (C) C
Molecular Formula
C28H30Cl2N4O2
Molecular Weight
525.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PTHR1 antagonist DS37571084
CAS Number2460353-87-9
PubChem CID156020029
IUPAC Name2,9-dichloro-5,5-dimethyl-7-[4-[2-(oxan-4-ylamino)ethylamino]phenyl]pyrido[2,3-d][1]benzazepin-6-one
Molecular FormulaC28H30Cl2N4O2
Molecular Weight525.5
XLogP5.3
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity741
SMILES
CC1(C2=C(C=C(C=N2)Cl)C3=C(C=C(C=C3)Cl)N(C1=O)C4=CC=C(C=C4)NCCNC5CCOCC5)C
InChI
InChI=1S/C28H30Cl2N4O2/c1-28(2)26-24(15-19(30)17-33-26)23-8-3-18(29)16-25(23)34(27(28)35)22-6-4-20(5-7-22)31-11-12-32-21-9-13-36-14-10-21/h3-8,15-17,21,31-32H,9-14H2,1-2H3
InChIKey
WDUWMDCPYOHPHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PTHR1 antagonist DS37571084
CAS: 2460353-87-9
CID: 156020029
Formula: C28H30Cl2N4O2
MW: 525.5
Interactive 3D Structure
Loading 3D structure...
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Computed Properties
PropertyValue
Molecular Weight525.5
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass524.1745816
Monoisotopic Mass524.1745816
Topological Polar Surface Area66.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity741
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

Alternative Products

CatalogName
HY-131206DS37571084

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