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MedKoo Cat#: 412519 | Name: Cefmatilen hydrochloride monohydrate

Description:

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

Cefmatilen hydrochloride monohydrate is the salt form of Cefmatilen, a compound being developed as a cephalosporin antibiotic for oral use.

Chemical Structure

Cefmatilen hydrochloride monohydrate
CAS#154776-45-1 (salt)

Theoretical Analysis

MedKoo Cat#: 412519

Name: Cefmatilen hydrochloride monohydrate

CAS#: 154776-45-1 (salt)

Chemical Formula: C15H17ClN8O6S4

Exact Mass:

Molecular Weight: 569.04

Elemental Analysis: C, 31.66; H, 3.01; Cl, 6.23; N, 19.69; O, 16.87; S, 22.54

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 #
154776-45-1 (salt) 140128-74-1 (free base)
Synonym
Cefmatilen hydrochloride monohydrate; UNII-PA4O9CKP1M
IUPAC/Chemical Name
(6R,7R)-3-((((1H-1,2,3-triazol-4-yl)thio)methyl)thio)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrochloride hydrate
InChi Key
LBWIJMWZWJRRMO-AWXOXGPMSA-N
InChi Code
InChI=1S/C15H14N8O5S4.ClH.H2O/c16-15-18-5(2-30-15)8(21-28)11(24)19-9-12(25)23-10(14(26)27)6(3-29-13(9)23)31-4-32-7-1-17-22-20-7;;/h1-2,9,13,28H,3-4H2,(H2,16,18)(H,19,24)(H,26,27)(H,17,20,22);1H;1H2/b21-8-;;/t9-,13-;;/m1../s1
SMILES Code
Nc1scc(/C(C(N[C@H]2[C@H]3SCC(SCSc4nn[nH]c4)=C(C(O)=O)N3C2=O)=O)=N/O)n1.O.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
>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 569.04 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: Takeuchi M, Harada M, Nagata M, Watanabe A, Nakamura K. [Immunological properties of S-1090, cefmatilen hydrochloride hydrate]. J Toxicol Sci. 2001 May;26 Suppl 1:231-42. Japanese. PubMed PMID: 11400315. 2: Yahara I, Furukawa H, Sato K, Nishimura K, Harihara A, Yabuuchi K, Miyauchi H, Kii Y, Muraoka Y, Kitamura T, Kato I. [Toxicity study of cefmatilen hydrochloride hydrate (S-1090) (1)--Single oral and intravenous dose toxicity studies in rats]. J Toxicol Sci. 2001 May;26 Suppl 1:1-4. Japanese. PubMed PMID: 11400306. 3: Kishi K, Andou M, Muraoka Y, Ito M, Hara K, Yoshida T, Muranaka R, Kanamori S, Hirashiba M, Uchida H, Kawai M, Ikeuchi K, Hishikawa A, Kaneto M. [Reproductive and developmental toxicity studies of S-1090, cefmatilen hydrochloride hydrate (4)--A study on oral administration during the perinatal and lactation periods in rats]. J Toxicol Sci. 2001 May;26 Suppl 1:205-29. Japanese. PubMed PMID: 11400314. 4: Sameshima H, Omori M, Nishimura Y, Chihaya Y, Itoh F, Mizushima Y, Yabuuchi K, Ohno K, Furukawa H, Yoshida I, Ueno M, Yahara I, Kato I. [Toxicity study of cefmatilen hydrochloride hydrate (S-1090) (5)--Six-month repeated oral dose toxicity study and supplement study in rats]. J Toxicol Sci. 2001 May;26 Suppl 1:77-108. Japanese. PubMed PMID: 11400319. 5: Hara K, Muraoka Y, Yoshida T, Muranaka R, Kanamori S, Hirashiba M, Uchida H, Ikeuchi K, Kawai M, Hishikawa A, Kaneto M, Kishi K. [Reproductive and developmental toxicity studies of S-1090, cefmatilen hydrochloride hydrate (1)--A study on oral administration prior to and in the early stages of pregnancy in rats]. J Toxicol Sci. 2001 May;26 Suppl 1:157-70. Japanese. PubMed PMID: 11400311. 6: Nishino I, Fujitomo H, Umeda T. Determination of a new oral cephalosporin, cefmatilen hydrochloride hydrate, and its seven metabolites in human and animal plasma and urine by coupled systems of ion-exchange and reversed-phase high-performance liquid chromatography. J Chromatogr B Biomed Sci Appl. 2000 Nov 10;749(1):101-10. PubMed PMID: 11129069. 7: Kondo K, Takase S, Nishimoto Y, Miyajima H, Shiratori O, Miyake Y. [Genotoxicity studies of cefmatilen hydrochloride hydrate (S-1090)]. J Toxicol Sci. 2001 May;26 Suppl 1:243-54. Japanese. PubMed PMID: 11400316. 8: Kato I, Nishimura K, Ueno M, Inoue S, Harihara A, Yabuuchi K, Sato K, Miyauchi H, Hirata M, Kimura Y, Furukawa H. [Toxicity study of cefmatilen hydrochloride hydrate (S-1090) (2)--Single oral dose toxicity study in dogs]. J Toxicol Sci. 2001 May;26 Suppl 1:5-12. Japanese. PubMed PMID: 11400318. 9: Sameshima H, Ueda T, Haruyama E, Chihaya Y, Mizushima Y, Ueno M, Moriyama T, Kii Y, Kato I. [Toxicity study of cefmatilen hydrochloride hydrate (S-1090) (6)--Six-month repeated oral dose toxicity study in dogs]. J Toxicol Sci. 2001 May;26 Suppl 1:109-34. Japanese. PubMed PMID: 11400307. 10: Yahara I, Yamagata H, Ueno M, Inoue S, Sato K, Nishimura K, Miyauchi H, Hirata M, Muraoka Y, Kimura Y, Kitamura T, Kato I. [Toxicity study of cefmatilen hydrochloride hydrate (S-1090) (4)--One- and three-month repeated oral dose toxicity studies in dogs]. J Toxicol Sci. 2001 May;26 Suppl 1:43-76. Japanese. PubMed PMID: 11400317. 11: Kishi K, Muranaka R, Hara K, Yoshida T, Kanamori S, Hirashiba M, Uchida H, Ikeuchi K, Kawai M, Hishikawa A, Kaneto M. [Reproductive and developmental toxicity studies of S-1090, cefmatilen hydrochloride hydrate (2)--A study on oral administration during the period of organogenesis in rats]. J Toxicol Sci. 2001 May;26 Suppl 1:171-94. Japanese. PubMed PMID: 11400312. 12: Sawada T, Karaki K, Hayashi T, Yoneyama S, Mizushima Y, Moriyama T, Nishimura K, Kimura Y, Nakano M, Kato I. [Toxicity study of cefmatilen hydrochloride hydrate (S-1090) (7)--Three-month repeated oral dose toxicity study in juvenile dogs]. J Toxicol Sci. 2001 May;26 Suppl 1:135-47. Japanese. PubMed PMID: 11400309. 13: Kato I, Sato K, Ueno M, Inoue S, Harihara A, Moriyama T, Nishimura K, Yabuuchi K, Hirata M, Muraoka Y, Kitamura T, Furukawa H. [Toxicity study of cefmatilen hydrochloride hydrate (S-1090) (3)--One- and three-month repeated oral dose toxicity studies in rats]. J Toxicol Sci. 2001 May;26 Suppl 1:13-42. Japanese. PubMed PMID: 11400308. 14: Kato I, Ogawa M, Ueno M, Nishimura K, Sato K, Kii Y, Muraoka Y, Hirata M, Nara H. [Toxicity study of cefmatilen hydrochloride hydrate (S-1090) (8)--Nephrotoxicity study in rabbits by single oral administration]. J Toxicol Sci. 2001 May;26 Suppl 1:149-56. Japanese. PubMed PMID: 11400310. 15: Furuhashi T, Takahashi M, Kato M, Shinoda A, Hasegawa Y, Ikeuchi K, Kishi K. [Reproductive and developmental toxicity study of S-1090, cefmatilen hydrochloride hydrate (3)--A study on oral administration during the period of organogenesis in rabbits]. J Toxicol Sci. 2001 May;26 Suppl 1:195-203. Japanese. PubMed PMID: 11400313. 16: Mabkhot YN, Alharbi MM, Al-Showiman SS, Ghabbour HA, Kheder NA, Soliman SM, Frey W. Stereoselective synthesis, X-ray analysis, computational studies and biological evaluation of new thiazole derivatives as potential anticancer agents. Chem Cent J. 2018 May 11;12(1):56. doi: 10.1186/s13065-018-0420-7. PubMed PMID: 29748782; PubMed Central PMCID: PMC5945573.