DISODIUM CANTHARIDINATE

Details

Stereochemistry	MIXED
Molecular Formula	C10H14O5.2Na
Molecular Weight	260.1947
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0
Stereo Comments	relative stereochemistry

SHOW SMILES / InChI

Structure Search

SMILES

[NaH].[NaH].C[C@@]1([C@@H]2CC[C@@H](O2)[C@@]1(C)C(O)=O)C(O)=O

InChI

InChIKey=GOGSWYVKNDVUJO-IVMHBOJMSA-N

InChI=1S/C10H14O5.2Na.2H/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14;;;;/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14);;;;/t5-,6+,9+,10-;;;;

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C10H14O5
Molecular Weight	214.2152
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Serine/threonine protein phosphatase 2A, catalytic subunit, alpha isoform 11 Target ID: CHEMBL4703 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1334551 \| https://www.ncbi.nlm.nih.gov/pubmed/17590861	Inhibitor 8297	50.0 nM [IC50]
Apoptosis 155 Target ID: map04210 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29159945 \| https://www.ncbi.nlm.nih.gov/pubmed/10683193 \| https://www.ncbi.nlm.nih.gov/pubmed/29345422	Activator 1430
Serine/threonine protein phosphatase 1 (PP1) catalytic subunit (Mus musculus) 1 Target ID: Serine/threonine protein phosphatase 1 (PP1) catalytic subunit (Mus musculus) Sources: https://www.ncbi.nlm.nih.gov/pubmed/8240393	Inhibitor 8297	562.0 nM [IC50]

PubMed

Title	Date	PubMed
Structure activity analysis of the pro-apoptotic, antitumor effect of nitrostyrene adducts and related compounds.	2003 Feb 15	12566088
Expression and function of protein phosphatase PP2A in malignant testicular germ cell tumours.	2007 Sep	17590861
Expression of Arl2 is associated with p53 localization and chemosensitivity in a breast cancer cell line.	2008 Oct	18818514
EP4 Receptor-Associated Protein in Macrophages Protects against Bleomycin-Induced Pulmonary Inflammation in Mice.	2016 Dec 1	27799315

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:59:32 GMT 2023` Edited by `admin` on `Sat Dec 16 13:59:32 GMT 2023`
Record UNII	8OIF7X5MK8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DISODIUM CANTHARIDINATE

Common Name

English

DISODIUM CANTHARIDIN

Common Name

English

7-OXABICYCLO(2.2.1)HEPTANE-2,3-DICARBOXYLIC ACID, 2,3-DIMETHYL-, DISODIUM SALT

Systematic Name

English

Disodium cantharidinate [WHO-DD]

Common Name

English

SODIUM CANTHARIDATE

Common Name

English

7-OXABICYCLO(2.2.1)HEPTANE-2,3-DICARBOXYLIC ACID, 2,3-DIMETHYL-, DISODIUM SALT, (1R,2S,3R,4S)-REL-

Systematic Name

English

7-OXABICYCLO(2.2.1)HEPTANE-2,3-DICARBOXYLIC ACID, 2,3-DIMETHYL-, DISODIUM SALT, (EXO,EXO)-

Systematic Name

English

CANTHARIDIN DISODIUM

Common Name

English

DISODIUM CANTHARIDATE

Common Name

English

7-OXABICYCLO(2.2.1)HEPTANE-2,3-DICARBOXYLIC ACID, 2,3-DIMETHYL-, SODIUM SALT (1:2), (1R,2S,3R,4S)-REL-

Systematic Name

English

Code System Code Type Description

FDA UNII

8OIF7X5MK8

Created by admin on Sat Dec 16 13:59:32 GMT 2023 , Edited by admin on Sat Dec 16 13:59:32 GMT 2023

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SMS_ID

100000183247

Created by admin on Sat Dec 16 13:59:32 GMT 2023 , Edited by admin on Sat Dec 16 13:59:32 GMT 2023

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PUBCHEM

121474

Created by admin on Sat Dec 16 13:59:32 GMT 2023 , Edited by admin on Sat Dec 16 13:59:32 GMT 2023

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CAS

1465-77-6

Created by admin on Sat Dec 16 13:59:32 GMT 2023 , Edited by admin on Sat Dec 16 13:59:32 GMT 2023

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