TAK-448 - ALL Chemistry-Professional and Leading Custom Chemical Supplier

TAK-448

IUPAC Name
(2S)-2-[[(2S,4R)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]-N-[(2S,3R)-1-[[(2S)-1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]butanediamide

Synonyms
MVT-602; Ac-D-Tyr-D-Trp-Asn-Thr-Phe-azaGly-Leu-Arg(Me)-Trp-NH2; RVT-602; RVT 602; TAK 448; RVT602; TAK448; N-acetyl-D-tyrosyl-(4R)-4-hydroxy-L-prolyl-L-asparaginyl-L-threonyl-L-phenylalanyl-2-azaglycyl-L-leucyl-N5-(imino(methylamino)methyl)-L-ornithyl-L-Tryptophanamide; Istaroxime; (2S,5S,8S,14S,17S,20S)-20-[({(2S,4R)-1-[(2R)-2-Acetamido-3-(4-hydroxyphenyl)propanoyl]-4-hydroxy-2-pyrrolidinyl}carbonyl)amino]-14-benzyl-17-(1-hydroxyethyl)-2-(1H-indol-3-ylmethyl)-8-isobutyl-5-[3-(N'-methylcarbamimidamido)propyl]-4,7,10,13,16,19-hexaoxo-3,6,9,11,12,15,18-heptaazadocosane-1,22-diamide

Description
TAK-448 is a KISS1R protein agonist as a oligopeptide analog of kisspeptin. In animal model, TAK-448 can stimulate LH/FSH release, whereas continuous sc exposure rapidly down-regulates the pituitary-gonadal axis, with rapid reduction of T levels in a dose-dependent manner. Phase II clinical trials for the treatment of Prostate cancer was discontinued. In Dec 2016, Takeda terminated a phase II trial in Hypogonadism (In adults, In the elderly) in USA because the study did not meet the primary endpoints.

SMILES
CC(C)CC(C(=O)NC(CCCNC(=NC)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)NNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)C4CC(CN4C(=O)C(CC5=CC=C(C=C5)O)NC(=O)C)O

InChI
InChI=1S/C58H80N16O14/c1-30(2)22-42(51(82)66-40(16-11-21-63-57(61)62-5)50(81)67-41(49(60)80)25-35-28-64-39-15-10-9-14-38(35)39)70-58(88)73-72-53(84)43(23-33-12-7-6-8-13-33)69-55(86)48(31(3)75)71-52(83)44(27-47(59)79)68-54(85)46-26-37(78)29-74(46)56(87)45(65-32(4)76)24-34-17-19-36(77)20-18-34/h6-10,12-15,17-20,28,30-31,37,40-46,48,64,75,77-78H,11,16,21-27,29H2,1-5H3,(H2,59,79)(H2,60,80)(H,65,76)(H,66,82)(H,67,81)(H,68,85)(H,69,86)(H,71,83)(H,72,84)(H3,61,62,63)(H2,70,73,88)/t31-,37-,40+,41+,42+,43+,44+,45-,46+,48+/m1/s1

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