SC-51322
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MedKoo CAT#: 532687

CAS#: 146032-79-3

Description: SC-51322 is a selective EP1 antagonist that inhibits PGE2 signaling in a guinea pig ileum muscle strip assay with a pA2 value of 8.1 and demonstrates analgesic activity in a mouse writhing assay with an ED50 value of 0.9 mg/kg.

Chemical Structure

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SC-51322
CAS# 146032-79-3
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 532687
Name: SC-51322
CAS#: 146032-79-3
Chemical Formula: C22H20ClN3O4S
Exact Mass: 457.09
Molecular Weight: 457.930
Elemental Analysis: C, 57.70; H, 4.40; Cl, 7.74; N, 9.18; O, 13.98; S, 7.00

Price and Availability

Size Price Availability Quantity
5mg USD 220 2 Weeks
10mg USD 400 2 Weeks
25mg USD 720 2 Weeks
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Synonym: SC-51322; SC 51322; SC51322.

IUPAC/Chemical Name: 3-chloro-N'-[3-(furan-2-ylmethylsulfanyl)propanoyl]-6H-benzo[b][1,5]benzoxazepine-5-carbohydrazide

InChi Key: CQBVTZDISUKDSX-UHFFFAOYSA-N

InChi Code: InChI=1S/C22H20ClN3O4S/c23-16-7-8-20-18(12-16)26(13-15-4-1-2-6-19(15)30-20)22(28)25-24-21(27)9-11-31-14-17-5-3-10-29-17/h1-8,10,12H,9,11,13-14H2,(H,24,27)(H,25,28)

SMILES Code: ClC(C=C1)=CC2=C1OC3=CC=CC=C3CN2C(NNC(CCSCC4=CC=CO4)=O)=O

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, DMF, and ethanol

Shelf Life: >2 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: SC-51322 is an antagonist of the PGE2 receptor EP 1, with a pA2 of 8.1.
In vitro activity: SC-51322 is a potent PGE2 antagonist (pA2 = 8.1) and analgesic (ED50 = 0.9 mg/kg). SC-51322 is the most potent PGE2 antagonist and analgesic that has been seen in the N-substituted dibenzoxazepines series. Reference: Bioorganic & Medicinal Chemistry Letters. Feb 1994. https://doi.org/10.1016/0960-894X(94)80027-8.
In vivo activity: To determined

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 20.0 43.67
DMSO 20.0 43.67
Ethanol 30.0 65.51

Preparing Stock Solutions

The following data is based on the product molecular weight 457.93 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: 1. Hallinan EA, Hagen TJ, Tsymbalov S, Husa RK, Lee AC, Stapelfeld A, Savage MA. Aminoacetyl moiety as a potential surrogate for diacylhydrazine group of SC-51089, a potent PGE2 antagonist, and its analogs. J Med Chem. 1996 Jan 19;39(2):609-13. doi: 10.1021/jm950454k. PMID: 8558534. 2. Hallinan EA, et, al. 8-chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid,2-[3-[2-(furanylmethyl)thio]-1-oxopropyl]hydrazide (SC-51322): A potent PGE2 antagonist and analgesic. Bioorganic & Medicinal Chemistry Letters. Feb 1994. 4(3): 509-514.
In vitro protocol: 1. Hallinan EA, Hagen TJ, Tsymbalov S, Husa RK, Lee AC, Stapelfeld A, Savage MA. Aminoacetyl moiety as a potential surrogate for diacylhydrazine group of SC-51089, a potent PGE2 antagonist, and its analogs. J Med Chem. 1996 Jan 19;39(2):609-13. doi: 10.1021/jm950454k. PMID: 8558534. 2. Hallinan EA, et, al. 8-chlorodibenz[b,f][1,4]oxazepine-10(11H)-carboxylic acid,2-[3-[2-(furanylmethyl)thio]-1-oxopropyl]hydrazide (SC-51322): A potent PGE2 antagonist and analgesic. Bioorganic & Medicinal Chemistry Letters. Feb 1994. 4(3): 509-514.
In vivo protocol: To be determined

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1. Hallinan, E.A.,Hagen, T.J.,Tsymbalov, S., et al. Aminoacetyl moiety as a potential surrogate for diacylhydrazine group of SC-51089, a potent PGE2 antagonist, and its analogs. Journal of Medicinal Chemistry 39, 609-613 (1996).

2. Foudi, N.,Kotelevets, L.,Louedec, L., et al. Vasorelaxation induced by prostaglandin E2 in human pulmonary vein: Role of the EP4 receptor subtype. British Journal of Pharmacology 154, 1631-1639 (2008).