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120287-85-6

Basic Information
CAS No.: 120287-85-6
Name: Cetrorelix acetate
Article Data: 2
Molecular Structure:
Molecular Structure of 120287-85-6 (Cetrorelix acetate)
Formula: C70H92ClN17O14
Molecular Weight: 1431.06
Synonyms: Cetrorelix;Cetrorelixum;Cetrotide;HSDB 7696;SB 75;SB-75;UNII-OON1HFZ4BA;N-Acetyl-3-(2-naphthyl)-D-alanyl-p-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-L-tyrosyl-N(sup 5)-carbamoyl-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide;
EINECS: 686-384-6
Density: 1.42 g/cm3
Appearance: White powder
PSA: 495.67000
LogP: 5.93230
Synthetic route
15761-39-4

1-(tert-butoxycarbonyl)-L-proline

13139-15-6

N-tert-butoxycarbonyl-L-leucine

13836-37-8

Boc-Arg(Tos)-OH

Boc-DCit, Boc-Tyr(O-2Br-Cbz), Boc-Ser(OBzl), Boc-D3Pal, Boc-D4ClPhe, Boc-D2Nal, AcOH

Boc-DCit, Boc-Tyr(O-2Br-Cbz), Boc-Ser(OBzl), Boc-D3Pal, Boc-D4ClPhe, Boc-D2Nal, AcOH

120287-85-6

cetrorelix

Conditions
ConditionsYield
Multistep reaction;

Ac-D-Nal-D-Cpa-D-Pal-Ser(tBu)-Tyr(tBu)-D-Cit-Leu-Arg(Pbf)-Pro-D-Ala-NH2

120287-85-6

cetrorelix

Conditions
ConditionsYield
With chlorotriisopropylsilane; ethane-1,2-dithiol; trifluoroacetic acid at 20℃; for 2h;
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  • Cetrorelix

  • Casno:

    120287-85-6

    Cetrorelix

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Sichuan Jisheng Biopharmaceutical Co.,Ltd is specializing of peptide and pharmaceutical intermediates. all of our products are procuced in accordance with GMP standard and are exceeded in international quality standards. We are a leading peptide

    Our company is located in Deyang, a typical city of Sichuan - with beautiful scenery and mild climate. It occupies a total area of 16,000 square meters. We are a specialized manufa

  •  SICHUAN TONGSHENG AMINOACID CO.LTD

     China (Mainland)  |  Contact Details

    Business Type:Manufacturers

    Tel:86-838-2274206/2850606

    Address:Room 1-11-1,No.19 of North TianShan Road,Deyang,Sichuan China

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  • Cetrorelix

  • Casno:

    120287-85-6

    Cetrorelix

    Min.Order: 0 Metric Ton

    FOB Price:  USD $ 0.0-0.0

    Hangzhou KeyingChem Co., Ltd. exported this product to many countries and regions at best price. If you are looking for the material’s manufacturer or supplier in China, KeyingChem is your best choice. Pls contact with us freely for getting det

    Hangzhou Keying Chem Co., Ltd. Is a comprehensive enterprise, dedicated to the development, production and marketing of chemicals. As a technology innovative and service profession

  •  Hangzhou Keyingchem Co.,Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-571-85378921

    Address:Jintong international Building, No.113,Huayuangang Street, Gong shu District, Hangzhou,Zhejiang, China.

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  • Cetrorelix acetate supplier in China CAS NO.120287-85-6

  • Casno:

    120287-85-6

    Cetrorelix acetate supplier in China CAS NO.120287-85-6

    Min.Order: 10 Gram

    FOB Price:  USD $ 0.0-0.0

    Minimum Order Qty. 10 Gram Supply Ability 500 Kilograms/Month Storage store in cool, dry, ventilated place 20℃ Delivery Time 3 business days after payment Payment Term TT,western union,Paypal,MoneyGram Package 10g,20g,50g,100g,500g,1KGS,

    Changchun Artel Import and Export Trade Co., Ltd. is located in Changchun City, Jilin Province. It is a high-tech modern private enterprise specializing in the research, developme

  •  Changchun Artel lmport and Export trade company

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    Business Type:Trading Company

    Tel:+86-0431-80543058

    Address:Dianshi Plazza,Chaoyang District

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  • Factory Cetrorelix in stock CAS 120287-85-6

  • Casno:

    120287-85-6

    Factory Cetrorelix in stock CAS 120287-85-6

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Factory Cetrorelix in stock CAS 120287-85-6Appearance:white powder Storage:dry and cool place Package:according to customers' requirements Application:API ,Used as pharmaceutical intermediates Transportation:By air(EMS or EUB or FedEx or TNT ect...)

    Established in 2010, located in Hangzhou Qinglan science park, lingruichem is a technical company mainly focus on the Custom synthesis, manufacturing, sales of chemicals to various

  •  Hangzhou Lingrui Chemical Co.,Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:86 571-88092529

    Address:201-B 2# Building Qinglan science park, 321# JinPeng Str. Xihu District Hangzhou City, PR.CHINA

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Specification

The Cetrorelix, with its CAS registry number 120287-85-6, has the systematic name of N-Acetyl-3-(2-naphthyl)-D-alanyl-p-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-L-tyrosyl-N(sup 5)-carbamoyl-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide. With its molecular foumula of C70H92ClN17O14, it has the formula weight of 1431.04. Besides, its product categories are including the peptide.

The characteristics of Cetrorelix are as follows: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 7; (9)#H bond acceptors: 31; (10)#H bond donors: 20; (11)#Freely Rotating Bonds: 40; (12)Polar Surface Area: 495.67; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 373.936 cm3; (15)Molar Volume: 1003.406 cm3; (16)Polarizability: 148.24×10-24cm3; (17)Surface Tension: 61.192 dyne/cm; (18)Density: 1.426 g/cm3; (19)Exact Mass: 1429.669818; (20)MonoIsotopic Mass: 1429.669818; (21)Topological Polar Surface Area: 498; (22)Heavy Atom Count: 102; (23)Complexity: 2840; (24)Defined Atom StereoCenter Count: 10; (25)Covalently-Bonded Unit Count: 1.

What's more, the following datas could be converted into the molecular structure:
(1)InChI:InChI=1/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54-,55+,56-,57-,58?/m1/s1 
(2)Smiles:N(C(=O)C)[C@@H](C(N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(N[C@H](CCCNC(=O)N)C(N[C@H](C(=O)N[C@H](C(=O)N1[C@H](C(N[C@@H](C(N)=O)C)=O)CCC1)CCCNC(N)=N)CC(C)C)=O)=O)Cc1ccc(cc1)O)CO)Cc1cccnc1)Cc1ccc(cc1)Cl)=O)Cc1ccc2c(c1)cccc2

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