≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Desiccated,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
TAK-448 acetate (MVT-602 acetate) is a potent and full KISS1R agonist with an IC 50 of 460 pM and an EC 50 of 632 pM
In Vivo
TAK-448 acetate (0.01-3 mg/kg; given i.h.; dosings on day 0 and 28) has greater anti-tumor effects in VCaP xenograft model. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Rat VCaP xenograft androgen-sensitive prostate cancer model (7-week-old rats) Dosage: 0.01, 0.03, 0.3, 3 mg/kg Administration: Given i.h.; dosings on day 0 and 28 Result: Had greater anti-tumor effects in VCaP xenograft model.
Form:Solid
IC50& Target:IC50: 460 pM (KISS1R), EC50: 632 pM (KISS1R)
| Canonical 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.CC(=O)O |
|---|---|
| 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;acetic acid |
| InChIKey | ITKNOAGWRWNSIK-NHDJLUSCSA-N |
| INCHI | 1S/C58H80N16O14.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t31-,37-,40+,41+,42+,43+,44+,45-,46+,48+;/m1./s1 |
| Isomeric SMILES | C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=NC)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](CC5=CC=C(C=C5)O)NC(=O)C)O)O.CC(=O)O |
| Alternate CAS | 1470374-22-1 |
| PubChem CID | 91668185 |
| Molecular Weight | 1285.41 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Peptides |
| Direct Parent | Oligopeptides |
| Alternative Parents | Phenylalanine and derivatives Arginine and derivatives Leucine and derivatives Asparagine and derivatives Proline and derivatives N-carbamoyl-alpha amino acids and derivatives N-acyl-alpha amino acids and derivatives Tryptamines and derivatives Alpha amino acid amides Amphetamines and derivatives 3-alkylindoles Pyrrolidinecarboxamides N-acylpyrrolidines 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles N-acyl amines Tertiary carboxylic acid amides Semicarbazides Hydrazinecarboxamides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Organic carbonic acids and derivatives Guanidines Carboxylic acid hydrazides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Alpha-oligopeptide - Phenylalanine or derivatives - Arginine or derivatives - Leucine or derivatives - Asparagine or derivatives - Proline or derivatives - N-carbamoyl-alpha-amino acid or derivatives - N-acyl-alpha amino acid or derivatives - Triptan - Alpha-amino acid amide - 3-alkylindole - Amphetamine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Indole or derivatives - Indole - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Benzenoid - Substituted pyrrole - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Acetamide - Hydrazinecarboxamide - Tertiary carboxylic acid amide - Semicarbazide - Pyrrolidine - Pyrrole - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Carbonic acid derivative - Guanidine - Carboxylic acid hydrazide - Carboxamide group - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
| External Descriptors | Not available |
| Solubility | DMSO : ≥ 100 mg/mL (77.80 mM) H2O : 50 mg/mL (38.90 mM; Need ultrasonic) |
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