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MedKoo Cat#: 465015 | Name: MDR-652
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

MDR-652 is a nonpungent transient receptor potential vanilloid 1 (TRPV1) agonist discovered to be a strong topical analgesic.

Chemical Structure

MDR-652
MDR-652
CAS#1933528-96-1

Theoretical Analysis

MedKoo Cat#: 465015

Name: MDR-652

CAS#: 1933528-96-1

Chemical Formula: C22H23ClFN3O2S

Exact Mass: 447.1184

Molecular Weight: 447.95

Elemental Analysis: C, 58.99; H, 5.18; Cl, 7.91; F, 4.24; N, 9.38; O, 7.14; S, 7.16

Price and Availability

Size Price Availability Quantity
50mg USD 750.00 2 Weeks
100mg USD 1,250.00 2 Weeks
200mg USD 1,950.00 2 Weeks
500mg USD 3,450.00 2 Weeks
1g USD 4,850.00 2 Weeks
2g USD 7,950.00 2 Weeks
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Related CAS #
1933528-96-1;
Synonym
MDR-652; MDR652; MDR 652;
IUPAC/Chemical Name
1-((2-(tert-butyl)-4-(3-chlorophenyl)thiazol-5-yl)methyl)-3-(3-fluoro-4-(hydroxymethyl)phenyl)urea
InChi Key
HKMPJRGWSUCANB-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H23ClFN3O2S/c1-22(2,3)20-27-19(13-5-4-6-15(23)9-13)18(30-20)11-25-21(29)26-16-8-7-14(12-28)17(24)10-16/h4-10,28H,11-12H2,1-3H3,(H2,25,26,29)
SMILES Code
ClC1=CC=CC(C2=C(CNC(NC3=CC=C(CO)C(F)=C3)=O)SC(C(C)(C)C)=N2)=C1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
MDR-652 is a highly specific and efficacious transient receptor potential vanilloid 1 (TRPV1) ligand with agonist activity.
In vitro activity:
TBD
In vivo activity:
Here, this study describes the scaled-up synthesis and characterization in mouse models of a novel, nonpungent vanilloid. Potent analgesic activity was observed in models of neuropathic pain, and the compound blocked capsaicin induced allodynia, showing dermal accumulation with little transdermal absorption. Reference: J Med Chem. 2020 Jan 9;63(1):418-424. https://pubmed.ncbi.nlm.nih.gov/31702924/
Solvent mg/mL mM comments
Solubility
DMSO 170.0 379.50
Ethanol 90.0 200.91
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 447.95 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
Ann J, Kim HS, Thorat SA, Kim H, Ha HJ, Choi K, Kim YH, Kim M, Hwang SW, Pearce LV, Esch TE, Turcios NA, Blumberg PM, Lee J. Discovery of Nonpungent Transient Receptor Potential Vanilloid 1 (TRPV1) Agonist as Strong Topical Analgesic. J Med Chem. 2020 Jan 9;63(1):418-424. doi: 10.1021/acs.jmedchem.9b01046. Epub 2019 Nov 26. PMID: 31702924.
In vitro protocol:
TBD
In vivo protocol:
Ann J, Kim HS, Thorat SA, Kim H, Ha HJ, Choi K, Kim YH, Kim M, Hwang SW, Pearce LV, Esch TE, Turcios NA, Blumberg PM, Lee J. Discovery of Nonpungent Transient Receptor Potential Vanilloid 1 (TRPV1) Agonist as Strong Topical Analgesic. J Med Chem. 2020 Jan 9;63(1):418-424. doi: 10.1021/acs.jmedchem.9b01046. Epub 2019 Nov 26. PMID: 31702924.
Discovery of Nonpungent Transient Receptor Potential Vanilloid 1 (TRPV1) Agonist as Strong Topical Analgesic. Jihyae AnnHo Shin KimShivaji A. ThoratHee KimHee-Jin HaKwanghyun ChoiYoung-Ho KimMinseok KimSun Wook HwangLarry V. PearceTimothy E. EschNoe A. TurciosPeter M. BlumbergJeewoo Lee*. Journal of Medicinal Chemistry, Articles ASAP (Brief Article)Subscribed Access Publication Date (Web):November 8, 2019.