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PD-102807

CAT: 0931-T23124-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T23124-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23062-91-1
Target
AChR
Related Pathways
Neuroscience
Purity
0.989
Bioactivity
PD-102807 is a selective and competitive M4 muscarinic receptor antagonist (IC50 = 90.7 nM), with IC50 values of 950–7412 nM for M1, M2, M3, and M5 receptors, and can be used for Parkinson's disease research, as well as to inhibit airway smooth muscle (ASM) contraction.
Smiles
O=C(OCC)C=1C=2C(=CC=C3OC4C5=CC=C(OC)C=C5CCN4CC32)NC1C
Molecular Formula
C23H24N2O4
Molecular Weight
392.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl 3,6a,11,14-tetrahydro-9-methoxy-2-methyl-12H-isoquino(1,2-b)pyrrolo(3,2-f)(1,3)benzoxazine-1-carboxylate

LSM-1888 is an indolyl carboxylic acid.

CAS Number23062-91-1
PubChem CID4995951
IUPAC Nameethyl 17-methoxy-6-methyl-12-oxa-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate
Molecular FormulaC23H24N2O4
Molecular Weight392.4
XLogP3.9
Topological Polar Surface Area63.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity616
SMILES
CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OC4C5=C(CCN4C3)C=C(C=C5)OC)C
InChI
InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
InChIKey
VDDUJINYXKGZLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3,6a,11,14-tetrahydro-9-methoxy-2-methyl-12H-isoquino(1,2-b)pyrrolo(3,2-f)(1,3)benzoxazine-1-carboxylate
CAS: 23062-91-1
CID: 4995951
Formula: C23H24N2O4
MW: 392.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass392.17360725
Monoisotopic Mass392.17360725
Topological Polar Surface Area63.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity616
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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