Antcin A

CAT: 0804-HY-N9921-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N9921-02Size:5 mg

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Description

Antcin A is a potent NLRP3 inhibitor that inhibits the assembly and activation of the NLRP3 inflammasome. Antcin A can inhibit Kupffer cell pyroptosis and has liver protective activity. Antcin A can be used to study inflammation, such as non-alcoholic fatty liver disease[1].

CAS Number

163597-24-8

UNSPSC

12352211

Target

NOD-like Receptor (NLR) ; Pyroptosis

Type

Natural Products

Related Pathways

Apoptosis; Immunology/Inflammation

Applications

COVID-19-immunoregulation

Field of Research

Inflammation/Immunology

Assay Protocol

https://www.medchemexpress.com/antcin-a.html

Purity

99.71

Solubility

10 mM in DMSO

Smiles

C[C@@]12C3=C(CC[C@@]1([H])[C@@H](C(CC2)=O)C)[C@@]4([H])[C@](CC3=O)([C@@](CC4)([H])[C@H](C)CCC(C(C)C(O)=O)=C)C

Molecular Formula

C29H42O4

Molecular Weight

454.64

References & Citations

[1]Ruan S, et al. Antcin A alleviates pyroptosis and inflammatory response in Kupffercells of non-alcoholic fatty liver disease by targeting NLRP3. Int Immunopharmacol. 2021 Nov;100:108126.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C (Powder, protect from light)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Antcin A

antcin A has been reported in Antrodia cinnamomea and Taiwanofungus camphoratus with data available.

CAS Number	163597-24-8
PubChem CID	10004121
IUPAC Name	(6R)-2-methyl-3-methylidene-6-[(4S,5S,10S,13R,14R,17R)-4,10,13-trimethyl-3,11-dioxo-2,4,5,6,7,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
Molecular Formula	C29H42O4
Molecular Weight	454.6
XLogP	6.2
Topological Polar Surface Area	71.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	913

SMILES

C[C@H]1[C@@H]2CCC3=C([C@]2(CCC1=O)C)C(=O)C[C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=C)C(C)C(=O)O)C

InChI

InChI=1S/C29H42O4/c1-16(18(3)27(32)33)7-8-17(2)21-11-12-23-20-9-10-22-19(4)24(30)13-14-28(22,5)26(20)25(31)15-29(21,23)6/h17-19,21-23H,1,7-15H2,2-6H3,(H,32,33)/t17-,18?,19+,21-,22+,23+,28+,29-/m1/s1

InChIKey

WTSUWKBKPMVEBO-QMHPZZQYSA-N

Chemical Structure

2D Structure

CAS: 163597-24-8

CID: 10004121

Formula: C29H42O4

MW: 454.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	454.6
XLogP3	6.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	454.30830982
Monoisotopic Mass	454.30830982
Topological Polar Surface Area	71.4 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	913
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
BUP01813-01	Antcin A
GTR19256055-01	Antcin B
AR-A06651-01	Antcin K
AR-A06650-01	Antcin H
T80010-01	(25S) -Antcin B
MBS5821669	(25S)-Antcin B
RM-Z240000-01	S-Antcin K; Zhankuic acid K

Antcin A

Chemical Information

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