MedKoo Cat#: 620111 | Name: MDK08445

Description:

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

MDK08445 is an important intermediate or precursor for the synthesis of Cefiderocol. MDK08445 has CAS#1225208-44-5. We assigned a code name as MDK08445 (last 5 digital of its CAS# was used). Cefiderocol, also known as S-649266, is a potent siderophore cephalosporin antibiotic with a catechol moiety on the 3-position side chain. S-649266 shows potent in vitro activity against the non-fermenting Gram-negative bacteria Acinetobacter baumannii, Pseudomonas aeruginosa and Stenotrophomonas maltophilia, including MDR strains such as carbapenem-resistant A. baumannii and metallo-β-lactamase-producing P. aeruginosa.

Chemical Structure

MDK08445
MDK08445
CAS#1225208-44-5

Theoretical Analysis

MedKoo Cat#: 620111

Name: MDK08445

CAS#: 1225208-44-5

Chemical Formula: C29H33ClN2O5

Exact Mass: 524.2078

Molecular Weight: 525.04

Elemental Analysis: C, 66.34; H, 6.34; Cl, 6.75; N, 5.34; O, 15.24

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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Related CAS #
No Data
Synonym
MDK08445; MDK 08445; MDK-08445. Cefiderocol-intermediate, Cefiderocol-precursor.
IUPAC/Chemical Name
2-chloro-3,4-bis((4-methoxybenzyl)oxy)-N-(2-(pyrrolidin-1-yl)ethyl)benzamide
InChi Key
JHVSKUKBBZURJZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C29H33ClN2O5/c1-34-23-9-5-21(6-10-23)19-36-26-14-13-25(29(33)31-15-18-32-16-3-4-17-32)27(30)28(26)37-20-22-7-11-24(35-2)12-8-22/h5-14H,3-4,15-20H2,1-2H3,(H,31,33)
SMILES Code
O=C(C1=CC=C(OCC2=CC=C(OC)C=C2)C(OCC3=CC=C(OC)C=C3)=C1Cl)NCCN4CCCC4
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

Preparing Stock Solutions

The following data is based on the product molecular weight 525.04 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. Preparation of intermediate of cephalosporin derivatives. Fukuda, Mayu; Watanabe, Takeaki; Kurita, Takanori; Yokota, Yutaka; Takeo, Masatoshi; Noguchi, Kouichi. PCT Int. Appl. (2016), WO 2016035847 A1 20160310, Language: Japanese, Database: CAPLUS 2. Pharmaceutical preparation comprising cephalosporin having catechol groups with improved stability, and manufacture thereof. Kawasaki, Hidenori; Kojima, Natsuko; Fujihira, Atsushi; Takahashi, Kanako; Matsubara, Fumihiko; Matsuoka, Nao. PCT Int. Appl. (2016), WO 2016035846 A1 20160310, 3. Preparation of 2-substituted cephem compounds as antibacterial agents. Yamawaki, Kenji; Yokoo, Katsuki; Sato, Jun; Kusano, Hiroki; Aoki, Toshiaki; Liao, Xiangmin; Pearson, Neil David; Pendrak, Israil; Thalgi, Reema. Jpn. Kokai Tokkyo Koho (2015), JP 2015221788 A 20151210, 4. Preparation of 2-substituted cephem compounds as antibacterial agents. Liao, Xiangmin; Pearson, Neil David; Pendrak, Israil; Thalgi, Reema; Yamawaki, Kenji; Yokoo, Katsuki; Sato, Jun; Kusano, Hiroki; Aoki, Toshiaki. PCT Int. Appl. (2014), WO 2014068388 A1 20140508, 5. Preparation of cephem derivative having catechol group. Yamawaki, Kenji; Sano, Masayuki; Sato, Jun. PCT Int. Appl. (2013), WO 2013051597 A1 20130411, 6. Preparation of novel cephem compounds having catechol or pseudo-catechol structure as antibacterial agents. Nishitani, Yasuhiro; Aoki, Toshiaki; Sato, Jun; Yamawaki, Kenji; Yokoo, Katsuki; Sano, Masayuki. PCT Int. Appl. (2012), WO 2012147773 A1 20121101, Language: Japanese, Database: CAPLUS 7. Preparation of cephem derivatives. Kusano, Hiroki; Yamawaki, Kenji. PCT Int. Appl. (2011), WO 2011136268 A1 20111103, 8. Preparation of cephem compounds having catechol group as antibacterial agents. Hisakawa, Shinya; Hasegawa, Yasushi; Aoki, Toshiaki; Kusano, Hiroki; Sano, Masayuki; Sato, Jun; Yamawaki, Kenji. PCT Int. Appl. (2011), WO 2011125967 A1 20111013, 9. Preparation of cephalosporins having catechol group as antibacterial agents. Nishitani, Yasuhiro; Yamawaki, Kenji; Takeoka, Yusuke; Sugimoto, Hideki; Hisakawa, Shinya; Aoki, Toshiaki. PCT Int. Appl. (2010), WO 2010050468 A1 20100506,