CALCIUM SALICYLATE

US Previously Marketed

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C7H5O3.Ca
Molecular Weight	314.304
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].OC1=C(C=CC=C1)C([O-])=O.OC2=C(C=CC=C2)C([O-])=O

InChI

InChIKey=VBIGULIJWJPALH-UHFFFAOYSA-L

InChI=1S/2C7H6O3.Ca/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	C7H5O3
Molecular Weight	137.1128
Charge	-1
Count

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

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/16872361 | https://www.ncbi.nlm.nih.gov/pubmed/15111637 | https://www.ncbi.nlm.nih.gov/pubmed/14617432 | https://www.ncbi.nlm.nih.gov/pubmed/7588338

Calcium salicylate is the calcium salt of salicylic acid. The anti-cancer effectiveness of calcium salicylate has been investigated on human HT-1080 fibrosarcoma cell lines. Low calcium salicylate concentrations did not retard tumor growth progression significantly but its cytotoxic characteristics were proven to be prominent by various morphological and immunocytological techniques - approximately 25% apoptosis after treatment with calcium salicylate. This compound up-regulated the expression of p53, p21 and Bax, and down-regulated Bcl-2 in HT-1080 cells. In addition, calcium salicylate is used in root canal filling material development.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
TP53 1 Target ID: TP53 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16872361	Activator 1430
CDKN1A (p21) 1 Target ID: CDKN1A (p21) Sources: https://www.ncbi.nlm.nih.gov/pubmed/16872361	Activator 1430
BCL2 1 Target ID: BCL2 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16872361	Inhibitor 8297
Bax 1 Target ID: Bax Sources: https://www.ncbi.nlm.nih.gov/pubmed/16872361	Activator 1430

C_max

Value	Dose	Analyte	Population
5282 μg/L EXPERIMENT https://www.sciencedirect.com/science/article/pii/S0022354915503596	81 mg 1 times / day steady-state, oral dose: 81 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	SALICYLIC ACID plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN
525 μg/L EXPERIMENT https://www.sciencedirect.com/science/article/pii/S0022354915503596	2 % 1 times / day steady-state, topical dose: 2 % route of administration: Topical experiment type: STEADY-STATE co-administered:	SALICYLIC ACID plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE food status: FASTED
56.4 μg/mL EXPERIMENT https://www.sciencedirect.com/science/article/pii/S0022354916325199	650 mg single, oral dose: 650 mg route of administration: Oral experiment type: SINGLE co-administered:	SALICYLIC ACID plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
0.814 μg/mL EXPERIMENT https://www.sciencedirect.com/science/article/pii/S0022354916325199	30 % single, topical dose: 30 % route of administration: Topical experiment type: SINGLE co-administered:	SALICYLIC ACID plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

AUC

Value	Dose	Analyte	Population
22010 μg × h/L EXPERIMENT https://www.sciencedirect.com/science/article/pii/S0022354915503596	81 mg 1 times / day steady-state, oral dose: 81 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	SALICYLIC ACID plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN
4225 μg × h/L EXPERIMENT https://www.sciencedirect.com/science/article/pii/S0022354915503596	2 % 1 times / day steady-state, topical dose: 2 % route of administration: Topical experiment type: STEADY-STATE co-administered:	SALICYLIC ACID plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE food status: FASTED
319.9 μg × h/mL EXPERIMENT https://www.sciencedirect.com/science/article/pii/S0022354916325199	650 mg single, oral dose: 650 mg route of administration: Oral experiment type: SINGLE co-administered:	SALICYLIC ACID plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
6.3944 μg × h/mL EXPERIMENT https://www.sciencedirect.com/science/article/pii/S0022354916325199	30 % single, topical dose: 30 % route of administration: Topical experiment type: SINGLE co-administered:	SALICYLIC ACID plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

T_1/2

Value	Dose	Analyte	Population
2.62 h EXPERIMENT https://www.sciencedirect.com/science/article/pii/S0022354915503596	81 mg 1 times / day steady-state, oral dose: 81 mg route of administration: Oral experiment type: STEADY-STATE co-administered:	SALICYLIC ACID plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE food status: UNKNOWN
7.62 h EXPERIMENT https://www.sciencedirect.com/science/article/pii/S0022354915503596	2 % 1 times / day steady-state, topical dose: 2 % route of administration: Topical experiment type: STEADY-STATE co-administered:	SALICYLIC ACID plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE food status: FASTED
2.23 h EXPERIMENT https://www.sciencedirect.com/science/article/pii/S0022354916325199	650 mg single, oral dose: 650 mg route of administration: Oral experiment type: SINGLE co-administered:	SALICYLIC ACID plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED
3.82 h EXPERIMENT https://www.sciencedirect.com/science/article/pii/S0022354916325199	30 % single, topical dose: 30 % route of administration: Topical experiment type: SINGLE co-administered:	SALICYLIC ACID plasma	Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FASTED

F_unbound

Value	Dose	Co-administered	Analyte	Population
9% EXPERIMENT https://pdfs.semanticscholar.org/6ff0/f6e7debaa3ce547a6f35b57d8a2c368b0357.pdf			SALICYLIC ACID serum	Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN

Sourcing

Vendor/Aggregator	ID	URL
3B Scientific (Wuhan) Corp	3B3-050803	http://www.3bsc.com/index/pro_info.php?id=88498
AHH Chemical co.,ltd	MT-04338	http://www.ahhchemical.com/product/MT-04338.html
AK Scientific, Inc. (AKSCI)	6145AF	http://www.aksci.com/item_detail.php?cat=6145AF
Alfa Chemistry	824-35-1	https://www.alfa-chemistry.com/calcium-salicylate-cas-824-35-1-item-293807.htm
Aurora Fine Chemicals LLC	A17.911.481	http://online.aurorafinechemicals.com/info?ID=A17.911.481
BOC Sciences	824-35-1	https://www.bocsci.com/calcium-salicylate-cas-824-35-1-item-34377.html
ChemMol	99156268	http://www.chemmol.com/chemmol/99156268.html
Debye Scientific	DB-056609	http://www.debyesci.com/cas_824-35-1.html
Sigma-Aldrich	CDS003348_ALDRICH	https://www.sigmaaldrich.com/catalog/product/aldrich/cds003348?utm_source=pubchem&utm_campaign=pubchem_2017&utm_medium=referral
Smolecule	S567598	https://www.smolecule.com/products/s567598

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:09:16 GMT 2023` Edited by `admin` on `Fri Dec 15 15:09:16 GMT 2023`
Record UNII	0841QCS0DK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM SALICYLATE

Official Name

English

CALCIUM SALICYLATE [II]

Common Name

English

Calcium salicylate [WHO-DD]

Common Name

English

CALCIUM SALICYLATE [INCI]

Common Name

English

CALCIUM DISALICYLATE

Systematic Name

English

BENZOIC ACID, 2-HYDROXY-, CALCIUM SALT (2:1)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C257