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CYN 154806 trifluoroacetate salt

SIGMA/C2490 - ≥98% (HPLC)

Synonym: Cyanamid 154806 trifluoroacetate salt

CAS Number: 183658-72-2 (free base)
Empirical Formula (Hill Notation): C56H68N12O14S2 · xC2HF3O2
Molecular Weight: 1197.34 (free base basis)
MDL Number: MFCD11045909
Linear Formula: C56H68N12O14S2 · xC2HF3O2
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-C2490-500UG 500 µg
 $227.00
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assay ≥98% (HPLC)
color white
form lyophilized powder (solid)
InChI 1S/C56H68N12O14S2.C2HF3O2/c1-30(69)48-56(80)66-47(54(78)62-42(49(58)73)23-33-12-18-37(71)19-13-33)29-84-83-28-46(65-51(75)43(60-31(2)70)24-32-10-16-36(17-11-32)68(81)82)55(79)63-44(25-34-14-20-38(72)21-15-34)52(76)64-45(26-35-27-59-40-8-4-3-7-39(35)40)53(77)61-41(50(74)67-48)9-5-6-22-57;3-2(4,5)1(6)7/h3-4,7-8,10-21,27,30,41-48,59,69,71-72H,5-6,9,22-26,28-29,57H2,1-2H3,(H2,58,73)(H,60,70)(H,61,77)(H,62,78)(H,63,79)(H,64,76)(H,65,75)(H,66,80)(H,67,74);(H,6,7)/t30-,41+,42-,43+,44+,45-,46-,47+,48+;/m1./s1
InChI key FYVCFCQFOBEWIO-GVGJFGMUSA-N
Quality Level 100 
SMILES string OC(=O)C(F)(F)F.C[C@@H](O)C1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](CSSC[C@H](NC1=O)C(=O)N[C@H](Cc5ccc(O)cc5)C(N)=O)NC(=O)[C@H](Cc6ccc(cc6)[N+]([O-])=O)NC(C)=O
storage temp. −20°C
Amino Acid Sequence: Ac-NO2-Phe-Cys-Tyr-Trp-Lys-Thr-Cys-Tyr-NH2
Biochem/physiol Actions: Potent and selective sst2 somatostatin receptor antagonist.
Packaging: 500 μg in glass bottle
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥98% (HPLC)
Storage Temp. −20°C
UNSPSC 12352200

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