EN
0
Home > Products > Specialty & Industrial Chemicals > Specialty Chemicals > Atosiban
Atosiban structure, CAS 90779-69-4

Atosiban

CAS Number90779-69-4

Synonyms1-Deamino-2-D-Tyr-(O-ethyl)-4-Thr-8-ornoxytocin; MFCD00672436; antocin; ATOSIBAN ACETATE; 1-deamino-2d-tyr-(oet)-4-thr-8-orn-oxytocin; Tractocile; Atosiban; [Mpr-D-Tyr(OEt)-Ile-Thr-Asn-Cys]-Pro-Orn-Gly-NH2

Molecular FormulaC43H67N11O12S2

Molecular Weight994.19

Purity≥98 (HPLC)%

Density1.3±0.1 g/cm3

Boiling Point1469.0±65.0 °C at 760 mmHg

Melting Point

Flash Point

Appearancelyophilized powder

EINECS

MSDSChineseEnglish

Symboltransportation

Signal WordWarning

Cat. No.: 2A-9060508 Purity: ≥98 (HPLC)%
Change View

Please Login or Create an Account to: See VlP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

Inquiry

Quality Control of [ 90779-69-4 ] Purity: ≥98 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number90779-69-4
Catalog No.2A-9060508
Chinese Name阿托西班
Synonyms1-Deamino-2-D-Tyr-(O-ethyl)-4-Thr-8-ornoxytocin; MFCD00672436; antocin; ATOSIBAN ACETATE; 1-deamino-2d-tyr-(oet)-4-thr-8-orn-oxytocin; Tractocile; Atosiban; [Mpr-D-Tyr(OEt)-Ile-Thr-Asn-Cys]-Pro-Orn-Gly-NH2
Molecular FormulaC43H67N11O12S2
Molecular Weight994.19
Purity≥98 (HPLC)
Density1.3±0.1 g/cm3
Boiling Point1469.0±65.0 °C at 760 mmHg
Appearancelyophilized powder
Water SolubilityH2O: ≤100 mg/mL
Storage Condition−20°C
ApplicationAtosiban (RW22164; Tractocile) is a nonapeptide, a desamino-oxytocin analog, and a competitive vasopressin/oxytocin receptor antagonist that can inhibit oxytocin-mediated release of inositol trisphosp
PubChem ID24724390
MDL NumberMFCD00672436
SMILES[H][C@]1(NC(=O)[C@@]([H])(NC(=O)[C@@H](Cc2ccc(OCC)cc2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)[C@@H](C)CC)[C@@H](C)O
InChI1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1
InChI KeyVWXRQYYUEIYXCZ-OBIMUBPZSA-N
NACRES CodeNA.77
UNSPSC51111800
Hazard Symbolstransportation
MSDSmsds/60508_1_90779_69_4.pdf
BioactivityAtosiban(RW22164; Tractocile) is a nonapeptide, desamino-oxytocin analogue, and a competitive vasopressin/oxytocin receptor antagonist (VOTra). Atosiban inhibits the oxytocin-mediated release of inositol trisphosphate from the myometrial cell membrane.IC50 value:Target: As a result, there is reduced release of intracellular, stored calcium from the sarcoplasmic reticulum of myometrial cells, and reduced influx of Ca2+ from the extracellular space through voltage gated channels. In addition, atosiban suppresses oxytocin-mediated release of PGE and PGF from the decidua.[1][2] In human pre-term labour, atosiban, at the recommended dosage, antagonises uterine contractions and induces uterine quiescence. The onset of uterus relaxation following atosiban is rapid, uterine contractions being significantly reduced within 10 minutes to achieve stable uterine quiescence. Related Catalog Signaling Pathways >> GPCR/G Protein >> Oxytocin Receptor Research Areas >> Others References [1]. Sanu O, et al. Critical appraisal and clinical utility of atosiban in the management of preterm labor. Ther Clin Risk Manag. 2010 Apr 26;6:191-9. [2]. Akerlund M, et al. The effect on the human uterus of two newly developed competitive inhibitors of oxytocin and vasopressin. Acta Obstet Gynecol Scand. 1985;64(6):499-504. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 1469.0±65.0 °C at 760 mmHg Molecular Formula C43H67N11O12S2 Molecular Weight 994.189 Flash Point 842.2±34.3 °C Exact Mass 993.441223 PSA 416.27000 LogP -3.41 Vapour Pressure 0.0±0.3 mmHg at 25°C Index of Refraction 1.549 InChIKey VWXRQYYUEIYXCZ-UHFFFAOYSA-N SMILES CCOc1ccc(CC2NC(=O)CCSSCC(C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(C(C)O)NC(=O)C(C(C)CC)NC2=O)cc1 Storage condition −20°C Water Solubility H2O: ≤100 mg/mL
Use ofProperties Articles39 Name Atosiban Synonym More Synonyms Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> Oxytocin Receptor Research Areas >> Others References [1]. Sanu O, et al. Critical appraisal and clinical utility of atosiban in the management of preterm labor. Ther Clin Risk Manag. 2010 Apr 26;6:191-9. [2]. Akerlund M, et al. The effect on the human uterus of two newly developed competitive inhibitors of oxytocin and vasopressin. Acta Obstet Gynecol Scand. 1985;64(6):499-504. Chemical & Physical Properties Molecular Formula C43H67N11O12S2 Exact Mass 993.441223 PSA 416.27000 LogP -3.41 Index of Refraction 1.549 InChIKey VWXRQYYUEIYXCZ-UHFFFAOYSA-N
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 United Nations shipping name European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
Related Products in Specialty Chemicals
IODOMETHANE-13C-D320710-47-82A-9060503
4-Hydroxy-N-isopropyl-N-methyltryptamine77872-43-62A-9060504
5-MEO-MIPT96096-55-82A-9060505
N-METHYL-N-ISOPROPYLTRYPTAMINE(MIPT)96096-52-52A-9060506
3-[2-(ETHYL-METHYL-AMINO)-ETHYL]-1H-INDOL-4-OL77872-41-42A-9060507
BIS[4-(2-HYDROXYETHOXY)PHENYL] SULFONE27205-03-42A-9060509
1,3-BIS(2-ISOCYANATO-2-PROPYL)BENZENE2778-42-92A-9060511
L-CYCLOSERINE339-72-02A-9060512
BENZYLGLYOXYLATE52709-42-92A-9060514
CISAPRIDEMONOHYDRATE260779-88-22A-9060515
Browse all Specialty Chemicals products »
Contact Us

Phone:

630-322-8886

630-322-8887

Email:

[email protected]

Office Locations:

Chicago, IL, USA

San Francisco, CA, USA