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Antide

CAT: 0804-HY-P0013-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P0013-01Size:5 mg
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Description
Antide (D-21074) is a potent LHRH antagonist. Antide also can be used for the research of prostatic cancer[1].
CAS Number
112568-12-4
Product Name Alternative
D-21074; ORF 23541
UNSPSC
12352209
Hazard Statement
H302, H315, H319, H335
Target
GnRH Receptor
Type
Peptides
Related Pathways
GPCR/G Protein
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/antide.html
Purity
99.53
Solubility
H2O : 10 mg/mL (ultrasonic)
Smiles
C[C@H](C(N)=O)NC([C@H]1N(C([C@H](CCCCNC(C)C)NC([C@H](CC(C)C)NC([C@@H](CCCCNC(C2=CC=CN=C2)=O)NC([C@H](CCCCNC(C3=CC=CN=C3)=O)NC([C@H](CO)NC([C@@H](CC4=CC=CN=C4)NC([C@@H](CC5=CC=C(Cl)C=C5)NC([C@@H](CC6=CC=C7C=CC=CC7=C6)NC(C)=O)=O)=O)=O)=O)=O)=O)=O)=O)CCC1)=O
Molecular Formula
C82H108ClN17O14
Molecular Weight
1591.29
Precautions
H302, H315, H319, H335
References & Citations
[1]U F Habenicht, et al. Effect of the new potent LHRH antagonist antide. J Steroid Biochem Mol Biol. 1990 Dec 20;37 (6) :937-42.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture and light)
Scientific Category
Peptides
Clinical Information
Phase 2

Chemical Information

Iturelix

Iturelix is a small molecule drug. The usage of the INN stem '-relix' in the name indicates that Iturelix is a gonadotropin-releasing-hormone (GnRH) inhibitor. Iturelix has a monoisotopic molecular weight of 1589.8 Da.

CAS Number112568-12-4
PubChem CID16130938
IUPAC NameN-[(5R)-5-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-(pyridine-3-carbonylamino)hexanoyl]amino]-6-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-6-(propan-2-ylamino)hexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-6-oxohexyl]pyridine-3-carboxamide
Molecular FormulaC82H108ClN17O14
Molecular Weight1591.3
XLogP5
Topological Polar Surface Area454
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count46
Heavy Atom Count114
Formal Charge0
Complexity3110
SMILES
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCNC(=O)C2=CN=CC=C2)NC(=O)[C@H](CCCCNC(=O)C3=CN=CC=C3)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CN=CC=C4)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C
InChI
InChI=1S/C82H108ClN17O14/c1-50(2)41-65(76(108)95-64(26-11-12-37-88-51(3)4)82(114)100-40-18-27-70(100)81(113)91-52(5)71(84)103)96-75(107)63(25-10-14-39-90-73(105)60-23-17-36-87-48-60)93-74(106)62(24-9-13-38-89-72(104)59-22-16-35-86-47-59)94-80(112)69(49-101)99-79(111)68(45-56-19-15-34-85-46-56)98-78(110)67(43-54-29-32-61(83)33-30-54)97-77(109)66(92-53(6)102)44-55-28-31-57-20-7-8-21-58(57)42-55/h7-8,15-17,19-23,28-36,42,46-48,50-52,62-70,88,101H,9-14,18,24-27,37-41,43-45,49H2,1-6H3,(H2,84,103)(H,89,104)(H,90,105)(H,91,113)(H,92,102)(H,93,106)(H,94,112)(H,95,108)(H,96,107)(H,97,109)(H,98,110)(H,99,111)/t52-,62+,63-,64+,65+,66-,67-,68-,69+,70+/m1/s1
InChIKey
QRYFGTULTGLGHU-NBERXCRTSA-N
Chemical Structure
2D Structure
2D structure of Iturelix
CAS: 112568-12-4
CID: 16130938
Formula: C82H108ClN17O14
MW: 1591.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1591.3
XLogP35
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count18
Rotatable Bond Count46
Exact Mass1589.7950189
Monoisotopic Mass1589.7950189
Topological Polar Surface Area454 Ų
Heavy Atom Count114
Formal Charge0
Complexity3110
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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