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Pristimerin

Pristimerin structure

CAS No:
1258-84-0
Formula:
C30H40O4
Chemical Name:
Pristimerin
Synonyms:
24,25,26-Trinoroleana-1(10),3,5,7-tetraen-29-oic acid,3-hydroxy-9,13-dimethyl-2-oxo-,methyl ester,(9β,13α,14β,20α)-;24-Nor-D:A-friedooleana-1(10),3,5,7-tetraen-29-oic acid,3-hydroxy-2-oxo-,methyl ester;Pristimerin;D:A-Friedo-24-noroleana-1(10),3,5,7-tetraen-29-oic acid,3-hydroxy-2-oxo-,methyl ester,(20α)-;Celastrol,methyl ester;2-Picenecarboxylic acid,1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-,methyl ester,[2R-(2α,4aβ,6aβ,12bβ,14aα,14bβ)]-;2-Picenecarboxylic acid,1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-,methyl ester,(2R,4aS,6aS,12bR,14aS,14bR)-;NSC 99281
Categories:
Biochemical Engineering > Plant Extracts

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Description

Pristimerin is a potent and reversible monoacylglycerol lipase (MGL) inhibitor with an IC50 of 93 nM.

Pristimerin is a carboxylic ester.

Pristimerin Basic Attributes

Molecular Weight：

464.642

Exact Mass：

464.64

UNII：

28ZK7PR57S

DSSTox ID：

DTXSID5044027

Characteristics

PSA：

63.60000

XLogP3：

7.54

Appearance：

orange

Density：

1.0271 (rough estimate)

Melting Point：

218-219 °C

Boiling Point：

488.1°C (rough estimate)

Flash Point：

195.1±25.0 °C

Refractive Index：

1.4800 (estimate)

Water Solubility：

DMSO: ≥5mg/mL

Storage Conditions：

Store at -20°C

Vapor Pressure：

2.63E-17mmHg at 25°C

Toxicity：

LD50 oral in mouse: 8gm/kg

Collision Cross Section：

211.2 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

Drug Information

MeSH Entry Terms：

3-hydroxy-24-nor-2-oxo-1(10),3,5,7-friedelatetraen-29-oic acid methyl ester

Pristimerin Use and Manufacturing

Pristimerin is a triterpenoid that inhibits tumor angiogenesis by targeting VEGFR2 activation and is known to exhibit anti-inflammatory properties.

Computed Properties

Molecular Weight:464.6
XLogP3:6.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:464.29265975
Monoisotopic Mass:464.29265975
Topological Polar Surface Area:63.6
Heavy Atom Count:34
Complexity:1120
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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pristimerin

CAS No.: 1258-84-0

Grade: industrial Grade

Content: 98%

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Pristimerin 1258-84-0

CAS No.: 1258-84-0

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Guide of Pristimerin

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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Pristimerin

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