TD-6301

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H57N5O2
Molecular Weight	639.9129
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=NC=C1CN2CCC(CC2)N(CCCCCCCN3CC[C@H](C3)C(C(N)=O)(C4=CC=CC=C4)C5=CC=CC=C5)C(C)C

InChI

InChIKey=FJADIVYKWUDMEW-PSXMRANNSA-N

InChI=1S/C40H57N5O2/c1-32(2)45(37-21-27-44(28-22-37)30-33-29-42-23-19-38(33)47-3)25-14-6-4-5-13-24-43-26-20-36(31-43)40(39(41)46,34-15-9-7-10-16-34)35-17-11-8-12-18-35/h7-12,15-19,23,29,32,36-37H,4-6,13-14,20-22,24-28,30-31H2,1-3H3,(H2,41,46)/t36-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H57N5O2
Molecular Weight	639.9129
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:32:51 GMT 2023` Edited by `admin` on `Sat Dec 16 11:32:51 GMT 2023`
Record UNII	EPR5GNZ7KS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TD-6301

Code

English

THRX-326151

Code

English

2-((3S)-1-(7-(ISOPROPYL-(1-((4-METHOXY-3-PYRIDYL)METHYL)-4-PIPERIDYL)AMINO)HEPTYL)PYRROLIDIN-3-YL)-2,2-DIPHENYL-ACETAMIDE

Systematic Name

English

(S)-4-(N-(7-(3-(CARBAMOYLDIPHENYLMETHYL)PYRROLIDIN-1-YL)HEPT-1-YL)-N-(ISOPROPYL)AMINO)-1-((4-METHOXYPYRIDIN-3-YL)METHYL)PIPERIDINE

Systematic Name

English

3-PYRROLIDINEACETAMIDE, 1-(7-((1-((4-METHOXY-3-PYRIDINYL)METHYL)-4-PIPERIDINYL)(1-METHYLETHYL)AMINO)HEPTYL)-.ALPHA.,.ALPHA.-DIPHENYL-, (3S)-

Systematic Name

English

TD6301

Code

English

Code System Code Type Description

FDA UNII

EPR5GNZ7KS

Created by admin on Sat Dec 16 11:32:51 GMT 2023 , Edited by admin on Sat Dec 16 11:32:51 GMT 2023

PRIMARY

CAS

690999-15-6

Created by admin on Sat Dec 16 11:32:51 GMT 2023 , Edited by admin on Sat Dec 16 11:32:51 GMT 2023

PRIMARY

PUBCHEM

10371936

Created by admin on Sat Dec 16 11:32:51 GMT 2023 , Edited by admin on Sat Dec 16 11:32:51 GMT 2023

PRIMARY

Related Record Type Details


					EPR5GNZ7KS

TD-6301

ACTIVE MOIETY

Comments:

The present studies characterize the in vitro and in vivo pharmacological properties of this molecule in comparison to other marketed antimuscarinics agents. In radioligand binding studies, TD-6301 was found to possess high affinity for human M(2) muscarinic receptor (K(i)=0.36 nM) and was 31, 36, 2 and 128-fold selective for the human M(2) muscarinic receptor compared to the M(1), M(3), M(4) and M(5) muscarinic receptors, respectively. TD-6301 was more potent in inhibiting volume-induced bladder contractions (ID(50)=0.075 mg/kg) compared to oxotremorine-induced salivation (ID(50)=1.0 mg/kg) resulting in a bladder/salivary gland selectivity ratio greater than that observed for tolterodine, oxybutynin, darifenacin and solifenacin.