DEGARELIX | CAS No. 214766-78-6

DEGARELIX

Basic Information

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CAS Number

214766-78-6

Molecular Formula

C82H103ClN18O16

Molecular Weight

1632.3 g/mol

Basic Physical Properties

SMILES

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CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)NC(=O)N)NC(=O)C(CC3=CC=C(C=C3)NC(=O)C4CC(=O)NC(=O)N4)NC(=O)C(CO)NC(=O)C(CC5=CN=CC=C5)NC(=O)C(CC6=CC=C(C=C6)Cl)NC(=O)C(CC7=CC8=CC=CC=C8C=C7)NC(=O)C

InChI

InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1

InChIKey

MEUCPCLKGZSHTA-XYAYPHGZSA-N

LogP

7.56580

Complexity

3390

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

GTPL5585
SCHEMBL21050504
SCHEMBL1397034
Degarelix (INN/USAN)
DEGARELIX [USAN]
Uglypeptide1
Degarelix
DEGARELIX [VANDF]
DEGARELIX [MART.]
Acetyl-2-naphthylalanyl-3-chlorophenylalanyl-1-oxohexadecyl-seryl-4-aminophenylalanyl(hydroorotyl)-4-aminophenylalanyl(carbamoyl)-leucyl-ILys-prolyl-alaninamide
DEGARELIX [HSDB]
FE-200486 (free base)
SX0XJI3A11
UNII-SX0XJI3A11
L02BX02
NSC771648
CHEBI:135961
N-acetyl-3-(naphtalen-2-yl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-4-((((4S)-2,6-dioxohexahydropyrimidin-4-yl)carbonyl)amino)-L-phenylalanyl-4-(carbamoylamino)-D-phenylalanyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-D-alaninamide
DEGARELIX ACETATE [JAN]
EN300-20626108
Degarelix [INN]
D-Alaninamide, N-acetyl-3-(naphtalen-2-yl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-4-((((4S)-2,6-dioxohexahydropyrimidin-4-yl)carbonyl)amino)-L-phenylalanyl-4-(carbamoylamino)-D-phenylalanyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-
GLXC-26186
Q1182795
CS-5350
Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(DHor)]-D-[Aph(Cbm)]-Leu-ILys-Pro-DAla-NH2
214766-78-6
Ac-D-2Nal-D-Phe(4-Cl)-D-3Pal-Ser-Phe(4-S-dihydroorotamido)-D-Phe(4-ureido)-Leu-Lys(iPr)-Pro-D-Ala-NH2
CHEMBL415606
AS-82636
D08901

MDL Number

MFCD05860888

FAQ

What is DEGARELIX (CAS: 214766-78-6)?

DEGARELIX is a nonsteroidal androgen receptor modulator, used in clinical research for its ability to block androgen receptor signaling. Its chemical formula is C21H26N2O2S.

What are the main uses of DEGARELIX (CAS: 214766-78-6)?

DEGARELIX is primarily used in clinical trials as an androgen receptor modulator. It is being studied for its potential role in treating prostate cancer and other conditions related to androgen receptor activity.

Is DEGARELIX (CAS: 214766-78-6) safe?

DEGARELIX has been deemed safe for clinical use under controlled conditions. However, it should be handled with care due to its potential to affect androgen receptor signaling. Users should follow all safety guidelines and consult with a healthcare provider for proper handling and administration.

How should DEGARELIX (CAS: 214766-78-6) be stored?

DEGARELIX should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in its original container, tightly sealed to prevent moisture and contamination. Avoid freezing and keep out of reach of children and pets.