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HOE 140 structure, CAS 130308-48-4

HOE 140

CAS Number130308-48-4

SynonymsH0E-140; HOE I40; Icatibant

Molecular FormulaC59H89N19O13S

Molecular Weight1304.52

Purity≥94%

Density1.6±0.1 g/cm3

Boiling Point

Melting Point

Flash Point

Appearancewhite solid

EINECS

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Symbol

Signal Word

Cat. No.: 2A-1173081 Purity: ≥94%
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Quality Control of [ 130308-48-4 ] Purity: ≥94% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number130308-48-4
Catalog No.2A-1173081
Chinese Name艾替班特
SynonymsH0E-140; HOE I40; Icatibant
Molecular FormulaC59H89N19O13S
Molecular Weight1304.52
Purity≥94
Density1.6±0.1 g/cm3
Appearancewhite solid
Storage Condition−20°C
ApplicationIcatibant (HOE-140) is a highly efficient and specific antagonist of bradykinin B2 receptor, with IC50 and Ki values ​​of 1.07nM and 0.798nM respectively.
PubChem ID329815169
MDL NumberMFCD00213940
SMILESN[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(=O)N[C@@H](Cc3cccs3)C(=O)N[C@@H](CO)C(=O)N4Cc5ccccc5C[C@@H]4C(=O)N6[C@H]7CCCC[C@H]7C[C@H]6C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+/m0/s1
InChI KeyQURWXBZNHXJZBE-SKXRKSCCSA-N
NACRES CodeNA.32
UNSPSC51111800
Transport InfoProduct name: HOE 140 TFA
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