Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00839)
Name
Angiotensin II
Synonyms    Click to Show/Hide the Synonyms of This API
ANGIOTENSIN II; 4474-91-3; Angiotensin II human; Hypertensin; Human angiotensin II; Angiotensin II (human); Giapreza; Angiotensin II (mouse); Ang II; 5-Isoleucine-angiotensin II; 5-L-Isoleucineangiotensin II; Asp-Arg-Val-Tyr-Ile-His-Pro-Phe; DRVYIHPF; 1-8-Angiotensin I; Ile(5)-angiotensin II; Isoleucine5-angiotensin II; UNII-M089EFU921; CHEBI:2719; ANG-(1-8)Octapeptide; isoleucine(5)-angiotensin II; CHEMBL408403; M089EFU921; 1-L-Aspasaginyl-5-L-valyl angiotensin octapeptide; Angiotensin II (USAN); L-alpha-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine; (2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-17-amino-5-((S)-sec-butyl)-1-((S)-2-(((S)-1-carboxy-2-phenylethyl)carbamoyl)pyrrolidin-1-yl)-14-(3-((diaminomethylene)amino)propyl)-8-(4-hydroxybenzyl)-11-isopropyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid; N-(1-(N-(N-(N-(N-(N(2)-L-alpha-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-L-phenylalanine; ANGIOTENSINII,HUMAN; Angiotensin II, human; Angiotensin II, ile(5)-; Angiotensin ii [INN:JAN]; Angiotensin 2; Angiotensin II, 5-L-isoleucine-; Delivert (TN); C50H71N13O12; Angiotensin II heavy; Ile5-angiotensin II; Angiotensin II (rat); Angiotensin II (9CI); ANGIOTENSIN II-HUMAN; Angiotensin II acetate salt; SCHEMBL1189; Angiotensin II (human type); Angiotensin II [Sar1 Ile8]; GTPL2504; LJPC-501; SCHEMBL9013957; SCHEMBL20502357; DTXSID30196288; CHEBI:131170; ty-10721; Angiotensin II (human type) (JAN); BDBM50228195; BDBM50236697; AKOS016010178; ZINC169676920; DB11842; H-Asp-Arg-Val-Tyr-Ile-His-Pro-Phe-OH; NCGC00167130-01; HY-13948; L-Phenylalanine, N-(1-(N-(N-(N-(N-(N2-L-alpha-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-; Asp1-Arg2-Val3-Tyr4-Ile5-His6-Pro7-Phe8; C02135; D02014; DRVY-I*-HPF [I*= I(13C6,15N)]; Q412999; ProteoMass(TM) Angiotensin II MALDI-MS Standard, vial of 10 nmol; (3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}propanoic acid; Alanine, N-(1-(N-(N-(N-(N-(N2-L-alpha-aspartyl-L-arginyl)-L-valyl)-L-tyrosyl)-L-isoleucyl)-L-histidyl)-L-prolyl)-3-phenyl-, L-; L-phenylalanine, L-alpha-aspartyl-L-arginyl-L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-
Clinical Status
Approved
PubChem CID
172198
Formula
C50H71N13O12
Canonical SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N
InChI
1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
InChIKey
CZGUSIXMZVURDU-JZXHSEFVSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=172198"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 1046.2 Topological Polar Surface Area 409
XlogP -1.7 Complexity 1980
Heavy Atom Count 75 Rotatable Bond Count 29
Hydrogen Bond Donor Count 13 Hydrogen Bond Acceptor Count 15
Full List of Drug Formulations (DFMs) Containing This API
          Angiotensin Ii 2.5 mg/ml Injection Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Mannitol; Water; Sodium Hydroxide; Hydrochloric Acid
                   Dosage Form Injection
                   Company La Jolla Pharmaceutical
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [1]
Hydrochloric acid DIG Info Carbonic anhydrase V (Ki = 156 nM) [2]
References
1 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
2 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1; 14(21):5435-9.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.