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| CAS No.: | 79561-22-1 |
|---|---|
| Name: | Alarelin |
| Molecular Structure: | |
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|
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| Formula: | C56H78N16O12 |
| Molecular Weight: | 1167.33 |
| Synonyms: | 10-Des-gly,6-(D-ala)-LHRH ethylamide, acetate salt;6-D-Ala-10-D-gly-LHRH-ethylamide;Ala(6)-gly(10)-gnrh;LHRH, alanine(6)-glycine(10)-ethylamide-;LHRH-A;des-Gly(sup 10),(D-Ala(sup 6))-LHRH-ethylamide;Luteinizing hormone-releasing factor(pig), 6-D-alanine-9-(N-ethyl-L-prolinamide)-10-deglycinamide-, diacetate (salt);LHRH, ala(6)-gly(10)-ethylamide-; |
| EINECS: | 635-974-1 |
| Density: | 1.482 g/cm3 |
| Appearance: | white powder |
| Hazard Symbols: |
 T
|
| Risk Codes: | 60 |
| Safety: | 53-45 |
| PSA: | 466.34000 |
| LogP: | 2.42110 |
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Specification
1. Introduction of Alarelin
Alarelin is one kind of white or off-white crystalline powder. The IUPAC Name of this chemical is N-[1-[[1-[[1-[[1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide. Alarelin Product Categories is Amino Acid Derivatives; Peptide; LH-RH; LH-RHPeptides for Cell Biology; Neuropeptides; Releasing Factors. It should be store at -20°C. It can soluble in water. 2.
2. Properties of Alarelin
Physical properties about Alarelin are:
(1)XLogP3-AA: -0.6; (2)H-Bond Donor: 15; (3)H-Bond Acceptor: 16; (4)storage temperature: -20 °C; (5)Index of Refraction: 1.694; (6)Molar Refractivity: 302.328 cm3; (7)Molar Volume: 787.483 cm3; (8)Polarizability: 119.852×10-24 cm3; (9)Surface Tension: 64.433 dyne/cm; (10)Density of Alarelin: 1.482 g/cm3.
3. Structure Descriptors of Alarelin
(1)SMILES: c1cc2c(cc1)c(C[C@H](NC([C@H](Cc1[nH]cnc1)NC(=O)[C@@H]1NC(CC1)=O)=O)C(N[C@H](C(N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(N[C@H](C(N[C@H](C(N1CCC[C@H]1C(=O)NCC)=O)CCCNC(N)=N)=O)CC(C)C)=O)C)=O)CO)=O)c[nH]2.C(C)(O)=O.C(C)(O)=O;
(2)InChI: InChI=1/C56H78N16O12.2C2H4O2/c1-5-60-54(83)45-13-9-21-72(45)55(84)39(12-8-20-61-56(57)58)66-50(79)40(22-30(2)3)67-47(76)31(4)64-49(78)41(23-32-14-16-35(74)17-15-32)68-53(82)44(28-73)71-51(80)42(24-33-26-62-37-11-7-6-10-36(33)37)69-52(81)43(25-34-27-59-29-63-34)70-48(77)38-18-19-46(75)65-38;2*1-2(3)4/h6-7,10-11,14-17,26-27,29-31,38-45,62,73-74H,5,8-9,12-13,18-25,28H2,14H3,(H,59,63)(H,60,83)(H,64,78)(H,65,75)(H,66,79)(H,67,76)(H,68,82)(H,69,81)(H,70,77)(H,71,80)(H4,57,58,61);2*1H3,(H,3,4)/t31,38?,39+,40+,41+,42+,43+,44+,45+;;/m1../s1;
(3)InChIKey: InChIKey=DPWSRXJWCYEGIV-CWMZTGDLSA-N.
4. Safety information of Alarelin
Hazard Codes:
T
Risk Statements: 60
R60:May impair fertility.
Safety Statements: 53-45
S53:Avoid exposure - obtain special instructions before use.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany of Alarelin (CAS NO.79561-22-1): 3
5. Uses of Alarelin
Alarelin is used in the treatment of Endometriosis. As a API, it can be used for research and in the medicine. Alarelin drug can be used for Endometriosis or Hysteromyoma.