MedKoo Cat#: 563455 | Name: Cintirorgon sodium

Description:

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

Cintirorgon, also known as LYC-55716, is a potent and orally active RORgamma agonist with potential immunomodulatory and antineoplastic activities. LYC-55716 selectively binds to the nuclear receptor transcription factor RORg, forming a receptor complex that translocates to the nucleus, and binds to ROR response elements (ROREs), enhancing the function, proliferation and survival of type 17 T cells, including Th17 (helper T cells) and Tc17 (cytotoxic T cells).

Chemical Structure

Cintirorgon sodium
Cintirorgon sodium
CAS#2055538-47-9 (sodium)

Theoretical Analysis

MedKoo Cat#: 563455

Name: Cintirorgon sodium

CAS#: 2055538-47-9 (sodium)

Chemical Formula: C27H22F6NNaO6S

Exact Mass: 625.0970

Molecular Weight: 625.51

Elemental Analysis: C, 51.84; H, 3.55; F, 18.22; N, 2.24; Na, 3.68; O, 15.35; S, 5.13

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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Synonym
Cintirorgon sodium; LYC-55716 sodium salt; LYC 55716; LYC55716;
IUPAC/Chemical Name
sodium (S)-3-(6-(3-(difluoromethoxy)-5-fluorophenyl)-4-((3-(trifluoromethyl)phenyl)sulfonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)-2,2-dimethylpropanoate
InChi Key
NWMACPZNQFABGF-BDQAORGHSA-M
InChi Code
InChI=1S/C27H23F6NO6S.Na/c1-26(2,24(35)36)13-20-14-34(41(37,38)21-5-3-4-17(11-21)27(31,32)33)22-10-15(6-7-23(22)39-20)16-8-18(28)12-19(9-16)40-25(29)30;/h3-12,20,25H,13-14H2,1-2H3,(H,35,36);/q;+1/p-1/t20-;/m0./s1
SMILES Code
O=C(C(C)(C[C@@H]1OC2=CC=C(C=C2N(C1)S(=O)(C3=CC=CC(C(F)(F)F)=C3)=O)C4=CC(F)=CC(OC(F)F)=C4)C)O[Na]
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

Preparing Stock Solutions

The following data is based on the product molecular weight 625.51 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: Mahalingam D, Wang JS, Hamilton EP, Sarantopoulos J, Nemunaitis J, Weems G, Carter L, Hu X, Schreeder M, Wilkins HJ. Phase 1 Open-Label, Multicenter Study of First-in-Class RORγ Agonist LYC-55716 (Cintirorgon): Safety, Tolerability, and Preliminary Evidence of Antitumor Activity. Clin Cancer Res. 2019 Jun 15;25(12):3508-3516. doi: 10.1158/1078-0432.CCR-18-3185. Epub 2019 Feb 28. PubMed PMID: 30819679.