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1-BENZYL-3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID structure, CAS 100957-85-5

1-BENZYL-3-(TERT-BUTYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID

CAS Number100957-85-5

Synonyms2-benzyl-5-tert-butyl-2H-pyrazole-3-carboxylic acid

Molecular FormulaC15H18O2N2

Molecular Weight258.32

Purity96+%

Density1.12g/cm3

Boiling Point438.4ºC at 760 mmHg

Melting Point126ºC

Flash Point

Appearancesolid

EINECS0

MSDSChineseEnglish

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Cat. No.: 2A-0107408 Purity: 96+%
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Quality Control of [ 100957-85-5 ] Purity: 96+% SDS Specification MoL

Chemical & Physical Properties
CAS Number100957-85-5
Catalog No.2A-0107408
Chinese Name1-苄基-3-(叔丁基)-1H-吡唑-5-羧酸
Synonyms2-benzyl-5-tert-butyl-2H-pyrazole-3-carboxylic acid
Molecular FormulaC15H18O2N2
Molecular Weight258.32
Purity96+
Density1.12g/cm3
Boiling Point438.4ºC at 760 mmHg
Melting Point126ºC
Appearancesolid
Storage Conditionroom temperature, inert gas
ApplicationSORT-PGRN interaction inhibitor 1 is a potent inhibitor of sortilin-progranulin interaction with IC50 of 2 μM.
EINECS0
HTC2933199090
UN(IATA)0
MDL NumberMFCD02090479
MSDSmsds/107408_1_100957_85_5.pdf
BioactivitySORT-PGRN interaction inhibitor 1 is a potent inhibitor of the sortilin-progranulin interaction with an IC50 of 2 μM[1]. Related Catalog Signaling Pathways >> GPCR/G Protein >> Neurotensin Receptor Research Areas >> Neurological Disease Target IC50: 2 μM (Sortilin-progranulin interaction)[1] In Vitro SORT-PGRN interaction inhibitor 1 (Compound 2) with sufficient potency and physicochemical properties to enable co-crystallization with sortilin[1]. References [1]. Shawn J Stachel, et al. Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorg Med Chem Lett. 2020 Sep 1;30(17):127403. Chemical & Physical Properties Density 1.12g/cm3 Boiling Point 438.4ºC at 760 mmHg Melting Point 126ºC Molecular Formula C15H18N2O2 Molecular Weight 258.31600 Flash Point 218.9ºC Exact Mass 258.13700 PSA 55.12000 LogP 2.92710 Vapour Pressure 1.85E-08mmHg at 25°C Index of Refraction 1.568
Use ofSORT-PGRN interaction inhibitor 1 is a potent inhibitor of the sortilin-progranulin interaction with an IC50 of 2 μM[1]. Properties Name 2-benzyl-5-tert-butylpyrazole-3-carboxylic acid Synonym More Synonyms SORT-PGRN interaction inhibitor 1 Biological Activity Description SORT-PGRN interaction inhibitor 1 is a potent inhibitor of the sortilin-progranulin interaction with an IC50 of 2 μM[1]. Related Catalog Signaling Pathways >> GPCR/G Protein >> Neurotensin Receptor Research Areas >> Neurological Disease IC50: 2 μM (Sortilin-progranulin interaction)[1] In Vitro SORT-PGRN interaction inhibitor 1 (Compound 2) with sufficient potency and physicochemical properties to enable co-crystallization with sortilin[1]. References [1]. Shawn J Stachel, et al. Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorg Med Chem Lett. 2020 Sep 1;30(17):127403. Chemical & Physical Properties Molecular Formula C15H18N2O2 Exact Mass 258.13700 PSA 55.12000 LogP 2.92710 Index of Refraction 1.568
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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