TMP778
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MedKoo CAT#: 522368

CAS#: 1422053-04-0

Description: TMP778 is a novel, potent, and selective RORıt inverse agonist. TMP778 acts potently and selectively to block mouse Th17 cell differentiation in vitro and to impair Th17 cell development in vivo upon immunization with the myelin antigen MOG35-55 plus complete Freund's adjuvant. Importantly, TMP778 acts in vivo to repress the expression of more than 150 genes, most of which fall outside the canonical Th17 transcriptional signature and are linked to a variety of inflammatory pathologies in humans.


Chemical Structure

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TMP778
CAS# 1422053-04-0

Theoretical Analysis

MedKoo Cat#: 522368
Name: TMP778
CAS#: 1422053-04-0
Chemical Formula: C31H30N2O4
Exact Mass: 494.22056
Molecular Weight: 494.59
Elemental Analysis: C, 75.28; H, 6.11; N, 5.66; O, 12.94

Price and Availability

Size Price Availability Quantity
50.0mg USD 2350.0 2 Weeks
100.0mg USD 3450.0 2 Weeks
200.0mg USD 5450.0 2 Weeks
500.0mg USD 8450.0 2 Weeks
1.0g USD 12950.0 2 Weeks
2.0g USD 19950.0 2 Weeks
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Related CAS #: 1422171-08-1   1422053-04-0  

Synonym: TMP778; TMP-778; TMP 778.

IUPAC/Chemical Name: 2-(2-((S)-(3,5-dimethylisoxazol-4-yl)(hydroxy)methyl)benzofuran-5-yl)-N-((S)-(2,4-dimethylphenyl)(phenyl)methyl)acetamide

InChi Key: DIURRJOJDQOMFC-IOWSJCHKSA-N

InChi Code: InChI=1S/C31H30N2O4/c1-18-10-12-25(19(2)14-18)30(23-8-6-5-7-9-23)32-28(34)16-22-11-13-26-24(15-22)17-27(36-26)31(35)29-20(3)33-37-21(29)4/h5-15,17,30-31,35H,16H2,1-4H3,(H,32,34)/t30-,31+/m0/s1

SMILES Code: CC1=NOC(C)=C1[C@H](O)C2=CC3=CC(CC(N[C@@H](C4=CC=CC=C4)C5=CC=C(C=C5C)C)=O)=CC=C3O2

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, not in water

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

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 200.0 404.0

Preparing Stock Solutions

The following data is based on the product molecular weight 494.59 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

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1: Liang Y, Pan HF, Ye DQ. IL-17A-producing CD8(+)T cells as therapeutic targets in autoimmunity. Expert Opin Ther Targets. 2015 May;19(5):651-61. doi: 10.1517/14728222.2014.997710. Epub 2015 Jan 22. PubMed PMID: 25611933.

2: Skepner J, Trocha M, Ramesh R, Qu XA, Schmidt D, Baloglu E, Lobera M, Davis S, Nolan MA, Carlson TJ, Hill J, Ghosh S, Sundrud MS, Yang J. In vivo regulation of gene expression and T helper type 17 differentiation by RORγt inverse agonists. Immunology. 2015 Jul;145(3):347-56. doi: 10.1111/imm.12444. Epub 2015 Apr 3. PubMed PMID: 25604624; PubMed Central PMCID: PMC4479534.

3: Xiao S, Yosef N, Yang J, Wang Y, Zhou L, Zhu C, Wu C, Baloglu E, Schmidt D, Ramesh R, Lobera M, Sundrud MS, Tsai PY, Xiang Z, Wang J, Xu Y, Lin X, Kretschmer K, Rahl PB, Young RA, Zhong Z, Hafler DA, Regev A, Ghosh S, Marson A, Kuchroo VK. Small-molecule RORγt antagonists inhibit T helper 17 cell transcriptional network by divergent mechanisms. Immunity. 2014 Apr 17;40(4):477-89. doi: 10.1016/j.immuni.2014.04.004. PubMed PMID: 24745332; PubMed Central PMCID: PMC4066874.

4: Lee JS, Cua DJ. The emerging landscape of RORγt biology. Immunity. 2014 Apr 17;40(4):451-2. doi: 10.1016/j.immuni.2014.04.005. PubMed PMID: 24745326.

5: Skepner J, Ramesh R, Trocha M, Schmidt D, Baloglu E, Lobera M, Carlson T, Hill J, Orband-Miller LA, Barnes A, Boudjelal M, Sundrud M, Ghosh S, Yang J. Pharmacologic inhibition of RORγt regulates Th17 signature gene expression and suppresses cutaneous inflammation in vivo. J Immunol. 2014 Mar 15;192(6):2564-75. doi: 10.4049/jimmunol.1302190. Epub 2014 Feb 10. PubMed PMID: 24516202.

TMP778

50.0mg / USD 2350.0