ENMD-1068 HCl | CAS# 789488-77-3 | PAR-2 antagonist

MedKoo Cat#: 526908 | Name: ENMD-1068 HCl

Description:

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

ENMD-1068 is a PAR-2 antagonist. ENMD-1068 inhibits the development of endometriosis in a mouse model. ENMD-1068 is effective in suppressing the growth of endometriosis, which might be attributed to the drug's antiangiogenic and antiinflammatory activities. Protease-activated receptor 2 plays an important role in the pathogenesis of endometriosis.

Chemical Structure

ENMD-1068 HCl

CAS# 789488-77-3 (free base)

Theoretical Analysis

MedKoo Cat#: 526908

Name: ENMD-1068 HCl

CAS#: 789488-77-3 (free base)

Chemical Formula: C15H30ClN3O2

Exact Mass:

Molecular Weight: 319.87

Elemental Analysis: C, 56.32; H, 9.45; Cl, 11.08; N, 13.14; O, 10.00

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.

Bulk Inquiry

Related CAS #

No Data

Synonym

ENMD1068; ENMD-1068; ENMD 1068; ENMD-1068 HCl; ENMD-1068 hydrochloride

IUPAC/Chemical Name

6-Amino-1-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-1-hexanone hydrochloride

InChi Key

UDMQQSSIEIJEHG-UHFFFAOYSA-N

InChi Code

InChI=1S/C15H29N3O2.ClH/c1-13(2)12-15(20)18-10-8-17(9-11-18)14(19)6-4-3-5-7-16;/h13H,3-12,16H2,1-2H3;1H

SMILES Code

O=C(N1CCN(C(CC(C)C)=O)CC1)CCCCCN.[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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 319.87 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: Sulaiman I, Lim JC, Soo HL, Stanslas J. Molecularly targeted therapies for asthma: Current development, challenges and potential clinical translation. Pulm Pharmacol Ther. 2016 Oct;40:52-68. doi: 10.1016/j.pupt.2016.07.005. Epub 2016 Jul 22. Review. PubMed PMID: 27453494. 2: Jang H, Matsuda A, Jung K, Karasawa K, Matsuda K, Oida K, Ishizaka S, Ahn G, Amagai Y, Moon C, Kim SH, Arkwright PD, Takamori K, Matsuda H, Tanaka A. Skin pH Is the Master Switch of Kallikrein 5-Mediated Skin Barrier Destruction in a Murine Atopic Dermatitis Model. J Invest Dermatol. 2016 Jan;136(1):127-35. doi: 10.1038/JID.2015.363. PubMed PMID: 26763432. 3: Jang H, Matsuda A, Jung K, Karasawa K, Matsuda K, Oida K, Ishizaka S, Ahn G, Amagai Y, Moon C, Kim SH, Arkwright PD, Takamori K, Matsuda H, Tanaka A. Skin pH is the Master Switch of Kallikrein 5-Mediated Skin Barrier Destruction in a Murine Atopic Dermatitis Model. J Invest Dermatol. 2015 Sep 22. doi: 10.1038/jid.2015.363. [Epub ahead of print] PubMed PMID: 26394114. 4: Nadeem A, Alharbi NO, Vliagoftis H, Tyagi M, Ahmad SF, Sayed-Ahmed MM. Proteinase activated receptor-2-mediated dual oxidase-2 up-regulation is involved in enhanced airway reactivity and inflammation in a mouse model of allergic asthma. Immunology. 2015 Jul;145(3):391-403. doi: 10.1111/imm.12453. PubMed PMID: 25684443; PubMed Central PMCID: PMC4479538. 5: Aoki M, Yamaguchi R, Yamamoto T, Ishimaru Y, Ono T, Sakamoto A, Narahara S, Sugiuchi H, Hirose E, Yamaguchi Y. Granulocyte-macrophage colony-stimulating factor primes interleukin-13 production by macrophages via protease-activated receptor-2. Blood Cells Mol Dis. 2015 Apr;54(4):353-9. doi: 10.1016/j.bcmd.2015.01.007. Epub 2015 Jan 17. PubMed PMID: 25633855. 6: Matos NA, Silva JF, Damasceno KA, Cassali GD, Lemos VS, Duarte ID, Klein A. Proteinase-activated receptor 2 blockade impairs CCL11- or allergen-induced eosinophil recruitment in experimental pleurisy. Eur J Pharmacol. 2014 Oct 5;740:627-33. doi: 10.1016/j.ejphar.2014.06.018. Epub 2014 Jun 24. PubMed PMID: 24972241. 7: Wang Y, Lin M, Weng H, Wang X, Yang L, Liu F. ENMD-1068, a protease-activated receptor 2 antagonist, inhibits the development of endometriosis in a mouse model. Am J Obstet Gynecol. 2014 Jun;210(6):531.e1-8. doi: 10.1016/j.ajog.2014.01.040. Epub 2014 Feb 1. PubMed PMID: 24495669. 8: Roviezzo F, De Angelis A, De Gruttola L, Bertolino A, Sullo N, Brancaleone V, Bucci M, De Palma R, Urbanek K, D'Agostino B, Ianaro A, Sorrentino R, Cirino G. Involvement of proteinase activated receptor-2 in the vascular response to sphingosine 1-phosphate. Clin Sci (Lond). 2014 Apr;126(8):545-56. doi: 10.1042/CS20130272. PubMed PMID: 24131465. 9: Matos NA, Silva JF, Matsui TC, Damasceno KA, Duarte ID, Lemos VS, Cassali GD, Klein A. Mast cell tryptase induces eosinophil recruitment in the pleural cavity of mice via proteinase-activated receptor 2. Inflammation. 2013 Dec;36(6):1260-7. doi: 10.1007/s10753-013-9664-5. PubMed PMID: 23749157. 10: Zhou J, Perelman JM, Kolosov VP, Zhou X. Neutrophil elastase induces MUC5AC secretion via protease-activated receptor 2. Mol Cell Biochem. 2013 May;377(1-2):75-85. doi: 10.1007/s11010-013-1572-3. Epub 2013 Feb 8. PubMed PMID: 23392769. 11: Oliveira SM, Silva CR, Ferreira J. Critical role of protease-activated receptor 2 activation by mast cell tryptase in the development of postoperative pain. Anesthesiology. 2013 Mar;118(3):679-90. doi: 10.1097/ALN.0b013e31827d415f. PubMed PMID: 23249992. 12: Crilly A, Palmer H, Nickdel MB, Dunning L, Lockhart JC, Plevin R, McInnes IB, Ferrell WR. Immunomodulatory role of proteinase-activated receptor-2. Ann Rheum Dis. 2012 Sep;71(9):1559-66. doi: 10.1136/annrheumdis-2011-200869. Epub 2012 May 6. PubMed PMID: 22563031; PubMed Central PMCID: PMC4861242. 13: Lohman RJ, Cotterell AJ, Barry GD, Liu L, Suen JY, Vesey DA, Fairlie DP. An antagonist of human protease activated receptor-2 attenuates PAR2 signaling, macrophage activation, mast cell degranulation, and collagen-induced arthritis in rats. FASEB J. 2012 Jul;26(7):2877-87. doi: 10.1096/fj.11-201004. Epub 2012 Mar 30. PubMed PMID: 22467762. 14: Sroussi HY, Lu Y, Villines D, Sun Y. The down regulation of neutrophil oxidative metabolism by S100A8 and S100A9: implication of the protease-activated receptor-2. Mol Immunol. 2012 Feb;50(1-2):42-8. doi: 10.1016/j.molimm.2011.12.001. Epub 2011 Dec 26. PubMed PMID: 22204866; PubMed Central PMCID: PMC3288784. 15: Cho HJ, Lee HJ, Kim SC, Kim K, Kim YS, Kim CH, Lee JG, Yoon JH, Choi JY. Protease-activated receptor 2-dependent fluid secretion from airway submucosal glands by house dust mite extract. J Allergy Clin Immunol. 2012 Feb;129(2):529-35, 535.e1-5. doi: 10.1016/j.jaci.2011.11.024. Epub 2011 Dec 22. PubMed PMID: 22196772. 16: Lohman RJ, Cotterell AJ, Suen J, Liu L, Do AT, Vesey DA, Fairlie DP. Antagonism of protease-activated receptor 2 protects against experimental colitis. J Pharmacol Exp Ther. 2012 Feb;340(2):256-65. doi: 10.1124/jpet.111.187062. Epub 2011 Oct 25. PubMed PMID: 22028393. 17: Tindell AG, Kelso EB, Ferrell WR, Lockhart JC, Walsh DA, Dunning L, McInnes IB. Correlation of protease-activated receptor-2 expression and synovitis in rheumatoid and osteoarthritis. Rheumatol Int. 2012 Oct;32(10):3077-86. Epub 2011 Sep 13. PubMed PMID: 21913036. 18: Kelso EB, Ferrell WR, Lockhart JC, Elias-Jones I, Hembrough T, Dunning L, Gracie JA, McInnes IB. Expression and proinflammatory role of proteinase-activated receptor 2 in rheumatoid synovium: ex vivo studies using a novel proteinase-activated receptor 2 antagonist. Arthritis Rheum. 2007 Mar;56(3):765-71. PubMed PMID: 17328048. 19: Kelso EB, Lockhart JC, Hembrough T, Dunning L, Plevin R, Hollenberg MD, Sommerhoff CP, McLean JS, Ferrell WR. Therapeutic promise of proteinase-activated receptor-2 antagonism in joint inflammation. J Pharmacol Exp Ther. 2006 Mar;316(3):1017-24. Epub 2005 Oct 31. PubMed PMID: 16260582.