WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 530975
CAS#: 1589571-77-6 (HCl)
Description: ORC-13661, also known as BPN-13661, is a Potent, Well Tolerated and Orally Active Protective Agents Against Aminoglycoside-Induced Hearing Loss. ORC-13661 protects mechanosensory hair cells with HC50 of 120 nM and demonstrated 100% protection in the zebrafish assay, superior physiochemical and pharmacokinetic and toxicologic properties as well as complete in vivo protection in rats. ORC-13661 is being developed by Oricula Therapeutics.
MedKoo Cat#: 530975
Name: ORC-13661 HCl
CAS#: 1589571-77-6 (HCl)
Chemical Formula: C18H20Cl2N4O2S
Molecular Weight: 427.344
Elemental Analysis: C, 50.59; H, 4.72; Cl, 16.59; N, 13.11; O, 7.49; S, 7.50
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Related CAS #: 1589573-55-6 (free base) 1589571-77-6 (HCl) 1589573-53-4 (free base) 1589571-74-3 (HCl) 1589573-54-5 (free base rotation (-)) 1589571-76-5 (HClrotation (-))
Synonym: ORC-13661; ORC 13661; ORC13661; BPN-13661; BPN 13661; BPN13661.
IUPAC/Chemical Name: (8S)-2-(3-(4-chlorophenyl)ureido)-9-methyl-5,6,7,8-tetrahydro-4H-5,8-epiminocyclohepta[b]thiophene-3-carboxamide hydrochloride
InChi Key: AILAJXCIBMDGMN-IYWIJXFJSA-N
InChi Code: InChI=1S/C18H19ClN4O2S.ClH/c1-23-11-6-7-13(23)15-12(8-11)14(16(20)24)17(26-15)22-18(25)21-10-4-2-9(19)3-5-10;/h2-5,11,13H,6-8H2,1H3,(H2,20,24)(H2,21,22,25);1H/t11?,13-;/m0./s1
SMILES Code: O=C(C1=C(NC(NC2=CC=C(Cl)C=C2)=O)SC3=C1CC4CC[C@@H]3N4C)N.[H]Cl
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: >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
The following data is based on the product molecular weight 427.344 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.
|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|
1: Chowdhury S, Owens KN, Herr RJ, Jiang Q, Chen X, Johnson G, Groppi VE, Raible
DW, Rubel EW, Simon JA. Phenotypic Optimization of Urea-Thiophene Carboxamides to
Yield Potent, Well Tolerated and Orally Active Protective Agents Against
Aminoglycoside-Induced Hearing Loss. J Med Chem. 2017 Oct 9. doi:
10.1021/acs.jmedchem.7b00932. [Epub ahead of print] PubMed PMID: 28992413.