MedKoo Cat#: 565511 | Name: MMP-13 Inhibitor
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Description:

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

MMP-13 Inhibitor is a potent mmp-13 inhibitor, specifically binding to pockets that are unique to mmp-13, rather than the catalytic zinc

Chemical Structure

MMP-13 Inhibitor
CAS#544678-85-5

Theoretical Analysis

MedKoo Cat#: 565511

Name: MMP-13 Inhibitor

CAS#: 544678-85-5

Chemical Formula: C22H20F2N4O2

Exact Mass: 410.1554

Molecular Weight: 410.42

Elemental Analysis: C, 64.38; H, 4.91; F, 9.26; N, 13.65; O, 7.80

Price and Availability

Size Price Availability Quantity
1mg USD 280.00 2 weeks
5mg USD 585.00 2 weeks
10mg USD 945.00 2 weeks
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Related CAS #
No Data
Synonym
MMP-13 Inhibitor; MMP 13 Inhibitor; MMP13 Inhibitor
IUPAC/Chemical Name
N4,N6-Bis[(4-fluoro-3-methylphenyl)methyl]-4,6-pyrimidinedicarboxamide
InChi Key
PYFRREJCFXFNRR-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30)
SMILES Code
O=C(C1=NC=NC(C(NCC2=CC=C(F)C(C)=C2)=O)=C1)NCC3=CC=C(F)C(C)=C3
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
Product Data
Biological target:
MMP-13 Inhibitor is a potent mmp-13 inhibitor, specifically binding to pockets that are unique to mmp-13, rather than the catalytic zinc.
In vitro activity:
TBD
In vivo activity:
TBD
Solvent mg/mL mM comments
Solubility
DMF 2.0 4.87
DMSO 51.0 124.26
DMSO:PBS (pH 7.2) (1:2) 0.3 0.80
Ethanol 0.5 1.22
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 410.42 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
Formulation protocol:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
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Med Sci Monit. 2019 Jun 4;25:4159-4168. doi: 10.12659/MSM.915064. PubMed PMID: 31162482; PubMed Central PMCID: PMC6561138. 8: Taskina ES, Kharintseva SV. [Matrix metalloproteinases-1, -13 and their tissue inhibitor-1 in endocrine ophthalmopathy]. Probl Endokrinol (Mosk). 2019 May 14;65(1):10-18. doi: 10.14341/probl9750. Russian. PubMed PMID: 31091046. 9: Wang L, Lu W, Gao YH, Cao X, Pei F, Liu XE, Zhuang H. [Effect of Anluohuaxianwan on the expression of matrix metalloproteinases and their inhibitors in rat liver with fibrosis]. Zhonghua Gan Zang Bing Za Zhi. 2019 Apr 20;27(4):267-273. doi: 10.3760/cma.j.issn.1007-3418.2019.04.006. Chinese. PubMed PMID: 31082337. 10: Papathanasiou I, Trachana V, Mourmoura E, Tsezou A. DNA methylation regulates miR-140-5p and miR-146a expression in osteoarthritis. Life Sci. 2019 Jul 1;228:274-284. doi: 10.1016/j.lfs.2019.05.018. Epub 2019 May 9. PubMed PMID: 31077718. 11: Mummidi S, Das NA, Carpenter AJ, Yoshida T, Yariswamy M, Mostany R, Izadpanah R, Higashi Y, Sukhanov S, Noda M, Siebenlist U, Rector RS, Chandrasekar B. RECK suppresses interleukin-17/TRAF3IP2-mediated MMP-13 activation and human aortic smooth muscle cell migration and proliferation. J Cell Physiol. 2019 May 9. doi: 10.1002/jcp.28792. [Epub ahead of print] PubMed PMID: 31074012. 12: Guo L, Wei X, Zhang Z, Wang X, Wang C, Li P, Wang C, Wei L. Ipriflavone attenuates the degeneration of cartilage by blocking the Indian hedgehog pathway. Arthritis Res Ther. 2019 May 2;21(1):109. doi: 10.1186/s13075-019-1895-x. PubMed PMID: 31046827; PubMed Central PMCID: PMC6498579. 13: Liu X, Zhu Y, Zheng W, Qian T, Wang H, Hou X. Antagonism of NK-1R using aprepitant suppresses inflammatory response in rheumatoid arthritis fibroblast-like synoviocytes. Artif Cells Nanomed Biotechnol. 2019 Dec;47(1):1628-1634. doi: 10.1080/21691401.2019.1573177. PubMed PMID: 31010320. 14: Zhao R, Wang S, Jia L, Li Q, Qiao J, Peng X. Interleukin-1 receptor antagonist protein (IL-1Ra) and miR-140 overexpression via pNNS-conjugated chitosan-mediated gene transfer enhances the repair of full-thickness cartilage defects in a rabbit model. Bone Joint Res. 2019 Apr 2;8(3):165-178. doi: 10.1302/2046-3758.83.BJR-2018-0222.R1. eCollection 2019 Mar. PubMed PMID: 30997042; PubMed Central PMCID: PMC6444021. 15: Hu Y, Barron AO, Gindina S, Kumar S, Chintala S, Nayyar A, Danias J. Investigations on the Role of the Fibrinolytic Pathway on Outflow Facility Regulation. Invest Ophthalmol Vis Sci. 2019 Apr 1;60(5):1571-1580. doi: 10.1167/iovs.18-25698. PubMed PMID: 30995314. 16: Cai D, Huff TW, Liu J, Yuan T, Wei Z, Qin J. Alleviation of Cartilage Destruction by Sinapic Acid in Experimental Osteoarthritis. Biomed Res Int. 2019 Feb 26;2019:5689613. doi: 10.1155/2019/5689613. eCollection 2019. PubMed PMID: 30931327; PubMed Central PMCID: PMC6413400. 17: Chen L, Cao G, Wang M, Feng YL, Chen DQ, Vaziri ND, Zhuang S, Zhao YY. The Matrix Metalloproteinase-13 Inhibitor Poricoic Acid ZI Ameliorates Renal Fibrosis by Mitigating Epithelial-Mesenchymal Transition. Mol Nutr Food Res. 2019 Mar 29:e1900132. doi: 10.1002/mnfr.201900132. [Epub ahead of print] PubMed PMID: 30925007. 18: Tao Y, Ge G, Wang Q, Wang W, Zhang W, Bai J, Lin J, Shen J, Guo X, Xu Y, Geng D. Exenatide ameliorates inflammatory response in human rheumatoid arthritis fibroblast-like synoviocytes. IUBMB Life. 2019 Jul;71(7):969-977. doi: 10.1002/iub.2031. Epub 2019 Mar 21. PubMed PMID: 30897288. 19: Ma J, Qiu Y, Wang M, Zhang M, Zhao X, Jiang H. Locostatin Alleviates Liver Fibrosis Induced by Carbon Tetrachloride in Mice. Dig Dis Sci. 2019 Mar 14. doi: 10.1007/s10620-019-05588-5. [Epub ahead of print] PubMed PMID: 30874989. 20: Zhang R, Chen J, Liu D, Wang Y. Urotensin II receptor antagonist reduces hepatic resistance and portal pressure through enhanced eNOS-dependent HSC vasodilatation in CCl(4)-induced cirrhotic rats. Front Med. 2019 Jun;13(3):398-408. doi: 10.1007/s11684-019-0689-5. Epub 2019 Jun 11. PubMed PMID: 30820806.