How to synthesis AmbamustineHydrochloride

Oct 26, 2018

Original Route of Synthesis of  AmbamustineHydrochloride yield is about 11%, impurity is 2%, unknown impurity is 1%.
EOS Med Chem use the new Route of Synthesis of AmbamustineHydrochloride, yield improve 33%.
Reduced AmbamustineHydrochloride synthesis steps, Remove unknown impurity, Remove Toxic Chemicals, Impurity is less than 1%, Assay more than 99%, Water by KF less than 0.5%.
Below is EOS Med Chem Route of Synthesis of AmbamustineHydrochloride, each steps we have MSDS, COA, if you have interesting, pls contact me.

1.

Name: Ambamustine HCl
CAS#: 83996-50-3
Chemical Formula: C29H40Cl3FN4O4S
Exact Mass:
Molecular Weight: 666.07
Elemental Analysis: C, 52.29; H, 6.05; Cl, 15.97; F, 2.85; N, 8.41; O, 9.61; S, 4.81


Synonym: Ambamustine hydrochloride; Ambamustine HCl; PT 119; PT-119; PT119; Ptt-119; Ptt 119; Ptt119;

IUPAC/Chemical Name: ethyl ((S)-2-((S)-2-amino-3-(4-fluorophenyl)propanamido)-3-(3-(bis(2-chloroethyl)amino)phenyl)propanoyl)-L-methioninate hydrochloride

InChi Key: LPRJQYQONDUPFK-OUKLVGRUSA-N

InChi Code: InChI=1S/C29H39Cl2FN4O4S.ClH/c1-3-40-29(39)25(11-16-41-2)34-28(38)26(35-27(37)24(33)18-20-7-9-22(32)10-8-20)19-21-5-4-6-23(17-21)36(14-12-30)15-13-31;/h4-10,17,24-26H,3,11-16,18-19,33H2,1-2H3,(H,34,38)(H,35,37);1H/t24-,25-,26-;/m0./s1

SMILES Code: CSCC[C@@H](C(OCC)=O)NC([C@H](CC1=CC=CC(N(CCCl)CCCl)=C1)NC([C@H](CC2=CC=C(F)C=C2)N)=O)=O.[H]Cl


TECHNICAL DATA
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).

2.
AmbamustineHydrochloride 83996-50-3;85754-59-2(free)
"AmbamustineHydrochloride, 83996-50-3;85754-59-2(free) Intermediate " 39064-03-4
AmbamustineHydrochloride, 83996-50-3;85754-59-2(free) Intermediate  39256-86-5
AmbamustineHydrochloride, 83996-50-3;85754-59-2(free) Intermediate  35738-88-6
AmbamustineHydrochloride, 83996-50-3;85754-59-2(free) Intermediate  76485-31-9
AmbamustineHydrochloride, 83996-50-3;85754-59-2(free) Intermediate  3082-77-7
AmbamustineHydrochloride, 83996-50-3;85754-59-2(free) Intermediate  76477-58-2

 

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