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2215-21-6,MFCD00008884
Catalog No.:AA003IKV
2215-21-6 | 3,5-Diisopropylsalicylic acid
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Purity
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1g
95%
in stock  
$22.00   $15.00
- +
5g
95%
in stock  
$58.00   $40.00
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25g
95%
in stock  
$143.00   $100.00
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100g
95%
in stock  
$508.00   $356.00
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IKV
Chemical Name:
3,5-Diisopropylsalicylic acid
CAS Number:
2215-21-6
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
MDL Number:
MFCD00008884
IUPAC Name:
2-hydroxy-3,5-di(propan-2-yl)benzoic acid
InChI:
InChI=1S/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16)
InChI Key:
XUFUYOGWFZSHGE-UHFFFAOYSA-N
SMILES:
CC(c1cc(C(C)C)c(c(c1)C(=O)O)O)C
EC Number:
218-677-8
Properties
Computed Properties
 
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  

Synonyms
 
3,5-diisoprophylsalicylate 
3,5-diisopropylsalicylic acid 
XUFUYOGWFZSHGE-UHFFFAOYSA-N 
MFCD00008884 
2-hydroxy-3,5-bis(propan-2-yl)benzoic acid 
CCRIS 3303 
EINECS 218-677-8 
ACMC-20ancn 
AC1L1JRV 
Oprea1_682060 
SCHEMBL212716 
DTXSID1062257 
3,5-diisopropylsalicylic acid, sodium salt 
CTK4E8771 
3,5-Bis(isopropyl)salicylic acid 
ZINC388225 
STK427549 
AKOS001434142 
3,5-Diisopropyl-2-hydroxybenzoic acid 
MCULE-6008855411 
NE21891 
2-hydroxy-3,5-diisopropyl benzoic acid 
NCGC00334155-01 
DIPS 
2-Hydroxy-3,5-diisopropylbenzoic acid # 
3,5-di-iso-Propyl-2-hydroxybenzoic acid 
3,5-bis(methylethyl)-2-hydroxybenzoic acid 
3,5-Bis(prop-2-yl)-2-hydroxybenzoic acid 
DB-045818 
LS-187130 
TC-169934 
FT-0614635 
ST50308542 
3,5-Diisopropyl-2-hydroxybenzoic acid, 98% 
3,5-Diisopropylsalicylic acid 
AB01326885-02 
Benzoic acid,2-hydroxy-3,5-bis(1-methylethyl)- 
J-014553 
I01-18119 
InChI=1/C13H18O3/c1-7(2)9-5-10(8(3)4)12(14)11(6-9)13(15)16/h5-8,14H,1-4H3,(H,15,16 
CID30543 
ACN-041753 
C13-H18-O3 
3,5-Diisopropylsalicylic acid, 98% - 25G 25g 
2215-21-6 
2-Hydroxy-3,5-diisopropylbenzoic acid 
3,5-Diisopropylsalicylate 
Benzoic acid, 2-hydroxy-3,5-bis(1-methylethyl)- 
2-hydroxy-3,5-di(propan-2-yl)benzoic acid 
Literature

Title: Copper(II) complexes of salicylic acid combining superoxide dismutase mimetic properties with DNA binding and cleaving capabilities display promising chemotherapeutic potential with fast acting in vitro cytotoxicity against cisplatin sensitive and resistant cancer cell lines.

Journal: Journal of medicinal chemistry 20120308

Title: Irbesartan inhibits advanced glycation end product (AGE)-induced up-regulation of vascular cell adhesion molecule-1 (VCAM-1) mRNA levels in glomerular endothelial cells.

Journal: Microvascular research 20110501

Title: Fabrication and mechanical properties of PLLA/PCL/HA composites via a biomimetic, dip coating, and hot compression procedure.

Journal: Journal of materials science. Materials in medicine 20100601

Title: Fluorescence labelling of DNA by carboxylic polypyridyl-Ru complexes containing bpy and DIP ligands: a study revisited.

Journal: Journal of fluorescence 20100501

Title: Bis(2,2'-bipyridyl-κN,N')bis-(2-hydroxy-benzoato)-κO;κO,O-cadmium(II) methanol solvate.

Journal: Acta crystallographica. Section E, Structure reports online 20100201

Title: Deoxyribonuclease I is essential for DNA fragmentation induced by gamma radiation in mice.

Journal: Radiation research 20091001

Title: Synthesis and anticancer activity of lipophilic platinum(II) complexes of 3,5-diisopropylsalicylate.

Journal: European journal of medicinal chemistry 20080701

Title: Copper(II) interaction with 3,5-diisopropylsalicylic acid (Dips): new insights on its role as a potential *OH inactivating ligand.

Journal: Journal of inorganic biochemistry 20070401

Title: Redox-dependent effects of nitric oxide on microvascular integrity in oxygen-induced retinopathy.

Journal: Free radical biology & medicine 20041201

Title: Pharmacokinetic distribution of 67Cu(II)2[3,5-diisopropyl(carboxy-14C)salicylate]4 among murine tissues.

Journal: Current medicinal chemistry 20041101

Title: Pharmacological and haematological results of rat skin burn injury treatment with Cu(II)2(3,5-diisopropylsalicylate)4.

Journal: Inflammopharmacology 20040101

Title: Ultraviolet-B-induced oxidative DNA base damage in primary normal human epidermal keratinocytes and inhibition by a hydroxyl radical scavenger.

Journal: The Journal of investigative dermatology 20030701

Title: Activation of calcium-dependent calmodulin by calcium(II)3(3,5-diisopropylsalicylate)6(H2O)6 decreases thrombin receptor activating peptide-induced P-selectin expression.

Journal: Blood coagulation & fibrinolysis : an international journal in haemostasis and thrombosis 20030201

Title: Protection against cisplatin-induced nephrotoxicity by Cu(II)2(3,5-diisopropylsalicylate)4.

Journal: Redox report : communications in free radical research 20030101

Title: Interleukin 17, a nitric oxide-producing cytokine with a peroxynitrite-independent inhibitory effect on proteoglycan synthesis.

Journal: The Journal of rheumatology 20021201

Title: [Crystallochemistry of copper (II) and zinc (II) chelates by nonsteroidal antiinflammatory drugs].

Journal: Annales pharmaceutiques francaises 20020301

Title: Nitric oxide (NO) and cartilage metabolism: NO effects are modulated by superoxide in response to IL-1.

Journal: Biorheology 20020101

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