Angiotensin II acetateProduct ingredient for Angiotensin II

Name

Angiotensin II acetate

Drug Entry

Angiotensin II

Angiotensin II is under investigation for the treatment of Sepsis, Septic Shock, Diabetes Mellitus, and Acute Renal Failure. Angiotensin II has been investigated for the treatment, basic science, and diagnostic of Hypertension, Renin Angiotensin System, and Idiopathic Membranous Nephropathy.

As of December 21, 2017 the FDA approved La Jolla Pharmaceutical's Giapreza (angiotensin II) Injection for Intravenouse Infusion for the indication of acting as a vasoconstrictor to increase blood pressure in adults with septic or other distributive shock. The novelty of the medication lies in the fact that it is the first and only use of synthetic human angiotensin II to help maintain body blood pressure.

Shock is the inability to maintain blood flow to vital tissues and the potential resultant organ failure and death within hours, no matter young or o ld. As distributive shock is the most common type of shock in the inpatient setting and affects up to one third of patients in the intensive care unit, the FDA determined that there is a need for treatment options for critically ill hypotensive patients who do not adequately respond to currently available therapies.

See full entry for Angiotensin II

Accession Number

DBSALT002093

Structure

Similar Structures

Synonyms

Not Available

UNII

31L3HS630A

CAS Number

32044-01-2

Weight

Average: 1106.249
Monoisotopic: 1105.555644147

Chemical Formula

C₅₂H₇₅N₁₃O₁₄

InChI Key

VBTZKFAHKJXHBA-PIONDTTLSA-N

InChI

InChI=1S/C50H71N13O12.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t28-,33-,34-,35-,36-,37-,38-,40-,41-;/m0./s1

IUPAC Name

(3S)-3-amino-3-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butyl]carbamoyl}propanoic acid; acetic acid

SMILES

CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O

External Links

ChemSpider: 150503
ChEMBL: CHEMBL3989932

Predicted Properties

Property	Value	Source
Water Solubility	0.0187 mg/mL	ALOGPS
logP	-0.71	ALOGPS
logP	-4.9	Chemaxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	3.13	Chemaxon
pKa (Strongest Basic)	11.88	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	17	Chemaxon
Hydrogen Donor Count	14	Chemaxon
Polar Surface Area	406.34 Å²	Chemaxon
Rotatable Bond Count	29	Chemaxon
Refractivity	279.54 m³·mol^-1	Chemaxon
Polarizability	107.49 Å³	Chemaxon
Number of Rings	4	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Angiotensin II acetateProduct ingredient for Angiotensin II

Structure for Angiotensin II acetate (DBSALT002093)