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(-)-Incarvillateine is a monoterpene alkaloid with notable analgesic properties, characterized by a complex structure featuring a 1,2,3,4-tetrasubstituted cyclobutane ring derived from a [2 + 2] photodimerization of cinnamic acid derivatives. It also contains two octahydro-2,4,7-trimethyl-1H-cyclopenta[c]pyridine moieties esterified to a central 1,3-cyclobutanedicarboxylic acid scaffold, further substituted with 4-hydroxy-3-methoxyphenyl groups. The stereochemistry is defined as (1a,2b,3b,4a)-, and its synthesis involves multi-step transformations, including reductive Heck-type reactions and strategic coupling to assemble the cyclopentanone and pyrindine frameworks. 1,3-Cyclobutanedicarboxylicacid, 2,4-bis(4-hydroxy-3-methoxyphenyl)-,1,3-bis[(4R,4aS,6R,7S,7aR)-octahydro-2,4,7-trimethyl-1H-cyclopenta[c]pyridin-6-yl]ester, (1a,2b,3b,4a)-'s potent bioactivity and intricate structure make it a significant target for synthetic and pharmacological studies.

129748-10-3

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129748-10-3 Usage

Cyclobutanedicarboxylic acid backbone

The compound has a four-carbon ring structure with two carboxylic acid groups attached to it.

Hydroxy and methoxy phenyl groups

The compound contains two phenyl groups, each with a hydroxy (-OH) and a methoxy (-OCH3) group attached to it.

Ester group

The compound has an ester group that is formed by the reaction of the carboxylic acid group with an alcohol.

Cyclopenta[c]pyridin-6-yl ring structure

The ester group is linked to a cyclopenta[c]pyridin-6-yl ring structure, which is a five-membered ring with a nitrogen atom and a pyridine ring fused to it.

Stereochemistry

The compound is in the (1a,2b,3b,4a)configuration, which indicates the specific arrangement of atoms in the molecule.

Potential pharmacophores

The presence of multiple functional groups, such as hydroxy and methoxy groups, suggests that the compound may have potential pharmacological activity.

Chiral centers

The compound has several chiral centers, which are carbon atoms with four different groups attached to them. This can result in different stereoisomers with different biological activities.

Pharmaceutical or medicinal applications

Due to the presence of potential pharmacophores and chiral centers, the compound may be used in pharmaceutical or medicinal applications.

Complex structure

The compound has a complex structure with multiple functional groups and a unique configuration, which may contribute to its potential biological activity and applications.

Check Digit Verification of cas no

The CAS Registry Mumber 129748-10-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,9,7,4 and 8 respectively; the second part has 2 digits, 1 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 129748-10:
(8*1)+(7*2)+(6*9)+(5*7)+(4*4)+(3*8)+(2*1)+(1*0)=153
153 % 10 = 3
So 129748-10-3 is a valid CAS Registry Number.

129748-10-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name incarvillateine

1.2 Other means of identification

Product number -
Other names 2,4-Bis-(4-hydroxy-3-methoxy-phenyl)-cyclobutane-1,3-dicarboxylic acid bis-(2,4,7-trimethyl-octahydro-[2]pyrindin-6-yl) ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:129748-10-3 SDS

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