CAS 88746-71-8

Ethanesulfonic acid, 2-[[(2R,4R)-2-[bis(2-chloroethyl)amino]tetrahydro-2-oxido-2H-1,3,2-oxazaphosphorin-4-yl]thio]-, rel-, compd. with cyclohexanamine (1:1)

Description:

Ethanesulfonic acid, 2-[[(2R,4R)-2-[bis(2-chloroethyl)amino]tetrahydro-2-oxido-2H-1,3,2-oxazaphosphorin-4-yl]thio]-, rel-, compd. with cyclohexanamine (1:1), identified by CAS number 88746-71-8, is a complex chemical compound that features a sulfonic acid group and a phosphoramide moiety. This compound is characterized by its potential use in medicinal chemistry, particularly in the development of pharmaceuticals due to its unique structural components. The presence of the chloroethyl groups suggests reactivity that may be exploited in biological systems, while the oxazaphosphorin ring contributes to its stability and potential bioactivity. The cyclohexanamine component may enhance solubility and interaction with biological targets. Overall, this compound exemplifies the intricate design often found in drug candidates, combining various functional groups that can influence its pharmacological properties, including solubility, reactivity, and biological activity. Further studies would be necessary to elucidate its specific applications and mechanisms of action in biological systems.

Formula: C₁₅H₃₂Cl₂N₃O₄PS₂

InChI: InChI=1/C9H19Cl2N2O5PS2.C6H13N/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17;7-6-4-2-1-3-5-6/h9H,1-8H2,(H,12,14)(H,15,16,17);6H,1-5,7H2/t9-,19?;/m1./s1

InChI key: InChIKey=AJOJXYODECALSX-XENFKMOZNA-N

SMILES: N(CCCl)(CCCl)P1(=O)N[C@H](SCCS(=O)(=O)O)CCO1.NC1CCCCC1

Synonyms:

• Asta 7557
• Ethanesulfonic acid, 2-[[2-[bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl]thio]-, P-oxide, cis-(±)-, compd. with cyclohexanamine (1:1)
• Asta Z 7557
• 2H-1,3,2-Oxazaphosphorine, ethanesulfonic acid deriv.
• Ethanesulfonic acid, 2-[[(2R,4R)-2-[bis(2-chloroethyl)amino]tetrahydro-2-oxido-2H-1,3,2-oxazaphosphorin-4-yl]thio]-, rel-, compd. with cyclohexanamine (1:1)
• 2-[Bis(2-chloroethyl)amino]-4-[(2-sulfoethyl)thio]tetrahydro-2H-1,3,2-oxazaphosphorine 2-oxide
• Mafosfamide cyclohexylamine salt
• 2-[[2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-yl]sulfanyl]ethanesulfonic acid
• 2-[[2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-yl]sulfanyl]et hanesulfonic acid: cyclohexanamine

2-acetyl-3-phenyl-1,2,4-oxadiazinan-5-one

CAS: 88746-71-8

Formula: C₁₁H₁₂N₂O₃

Molecular weight: 220.2246

Ref: IN-DA004COD