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MedKoo Cat#: 555276 | Name: CH5447240

Description:

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

CH5447240 is a potent Human Parathyroid Hormone Receptor 1 (hPTHR1) Agonist for Treatment of Hypoparathyroidism. CH5447240 exhibited a potent in vitro hPTHR1 agonist effect with EC20 of 3.0 nM and EC50 of 12 nM and showed excellent physicochemical properties, such as high solubility in fasted state simulated intestinal fluid and good metabolic stability in human liver microsomes. mportantly, CH5447240 showed 55% oral bioavailability, and a significantly elevated serum calcium level in hypocalcemic model rats.

Chemical Structure

CH5447240
CH5447240
CAS#1253919-92-4

Theoretical Analysis

MedKoo Cat#: 555276

Name: CH5447240

CAS#: 1253919-92-4

Chemical Formula: C26H39N5O4S

Exact Mass: 517.2723

Molecular Weight: 517.69

Elemental Analysis: C, 60.32; H, 7.59; N, 13.53; O, 12.36; S, 6.19

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
CH5447240; CH-5447240; CH 5447240;
IUPAC/Chemical Name
1-(3,5-dimethyl-4-(2-((2-((1R,4R)-4-methylcyclohexyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl)sulfonyl)ethyl)phenyl)-1-methylurea
InChi Key
PNTBFOBXKXSPLI-IRJFHVNHSA-N
InChi Code
InChI=1S/C26H39N5O4S/c1-17-5-7-20(8-6-17)23-28-24(32)26(29-23)10-12-31(13-11-26)36(34,35)14-9-22-18(2)15-21(16-19(22)3)30(4)25(27)33/h15-17,20H,5-14H2,1-4H3,(H2,27,33)(H,28,29,32)/t17-,20-
SMILES Code
O=C(N)N(C1=CC(C)=C(CCS(=O)(N(CC2)CCC2(N=C([C@H]3CC[C@H](C)CC3)N4)C4=O)=O)C(C)=C1)C
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
2934.99.03.00
More Info
Hypoparathyroidism is an endocrine disorder most commonly seen after surgical removal of a parathyroid gland in patients with thyroid cancer and is also associated with hereditary or acquired abnormalities, such as autoimmunity, DiGeorge syndrome, mitochondrial dysfunction, and activating mutations of the calcium-sensing receptor. It is caused by insufficient production of parathyroid hormone (PTH) from the parathyroid glands or by tissue insensitivity to PTH, a polypeptide containing 84 amino acids that is secreted by the parathyroid glands to maintain serum calcium and phosphate levels through the PTH type 1 receptor (PTHR1) in bone and kidney.

Preparing Stock Solutions

The following data is based on the product molecular weight 517.69 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
1: Nishimura Y, Esaki T, Isshiki Y, Okamoto N, Furuta Y, Kotake T, Watanabe Y, Ohta M, Nakagawa T, Noda H, Shimizu M, Saito H, Tamura T, Sato H. Development of a Novel Human Parathyroid Hormone Receptor 1 (hPTHR1) Agonist (CH5447240), a Potent and Orally Available Small-Molecule for Treatment of Hypoparathyroidism. J Med Chem. 2018 Jun 22. doi: 10.1021/acs.jmedchem.8b00182. [Epub ahead of print] PubMed PMID: 29932656.