Pristimerin

CAT: 0931-T4S1050-07Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T4S1050-07Size:100 mg

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CAS Number

1258-84-0

Target

NF-κB, Antibacterial

Related Pathways

NF-κB, Microbiology/Virology

Purity

0.9979

Bioactivity

1. Pristimerin (Celastrol methyl ester) has anticancer activity , treatment with Pristimerin may be a potential strategy for the suppression of hypoxia-induced metastasis through the reversal of hypoxia-induced stem cell characteristics and EMT in cancer cells. 2. Pristimerin down-regulates the expression of pro-inflammatory mediators through blocking of NF-κB activation by inhibiting interconnected ROS/IKK/NF-κB signaling pathways, can effectively inhibit both arthritic inflammation and cartilage and bone damage in the joints.

Smiles

COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(C)=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1

Molecular Formula

C30H40O4

Molecular Weight

464.64

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Pristimerin

Pristimerin is a carboxylic ester.

CAS Number	1258-84-0
PubChem CID	159516
IUPAC Name	methyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
Molecular Formula	C30H40O4
Molecular Weight	464.6
XLogP	6.3
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	34
Formal Charge	0
Complexity	1120

SMILES

CC1=C(C(=O)C=C2C1=CC=C3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4C[C@](CC5)(C)C(=O)OC)C)C)C)C)O

InChI

InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1

InChIKey

JFACETXYABVHFD-WXPPGMDDSA-N

Chemical Structure

2D Structure

CAS: 1258-84-0

CID: 159516

Formula: C30H40O4

MW: 464.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
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 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	1120
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
256324-01	Pristimerin
HY-N1937R	Pristimerin (Standard)

Pristimerin

Chemical Information

Alternative Products

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