Nemifitide (diTFA)

Nemifitide diTFA is a synthetic pentapeptide antidepressant with a potential for rapid onset of action. Nemifitide diTFA is a peptide analog of melanocyte-inhibiting factor (MIF), can cross the blood-brain barrier.

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CAT#	R1866
CAS	204992-09-6
Synonyms/Alias	INN 00835 diTFA; Netamiftide ditriflutate
Chemical Name	(2S,4R)-1-[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-N-[(2S)-1-[[2-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
M.F/Formula	C37H45F7N10O10
M.W/Mr.	922.8
Sequence	One Letter Code: F(4-F)-Hyp-RGW-2TFA Three Letter Code: H-Phe(4-F)-Hyp-Arg-Gly-Trp-NH2.2TFA

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Storage	H2O : 250 mg/mL (270.91 mM; Need ultrasonic)
Shipping Condition	Wet ice in continental US; may vary elsewhere
InChI	InChI=1S/C33H43FN10O6.2C2HF3O2/c34-20-9-7-18(8-10-20)12-23(35)32(50)44-17-21(45)14-27(44)31(49)43-25(6-3-11-39-33(37)38)30(48)41-16-28(46)42-26(29(36)47)13-19-15-40-24-5-2-1-4-22(19)24;23-2(4,5)1(6)7/h1-2,4-5,7-10,15,21,23,25-27,40,45H,3,6,11-14,16-17,35H2,(H2,36,47)(H,41,48)(H,42,46)(H,43,49)(H4,37,38,39);2(H,6,7)/t21-,23+,25+,26+,27+;;/m1../s1
InChI Key	QXCFOJXOLMOPRK-QOXNQHIRSA-N
Canonical SMILES	C1C(CN(C1C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)C(CC4=CC=C(C=C4)F)N)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
Isomeric SMILES	C1[C@H](CN([C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N)C(=O)[C@H](CC4=CC=C(C=C4)F)N)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O