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Brinzolamide
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Name

Brinzolamide

 EINECS 620-511-8
CAS No. 138890-62-7 Density 1.5 g/cm3
PSA 163.80000 LogP 3.27760
Solubility N/A Melting Point 130.0 to 134.0 °C
Formula C12H21N3O5S3 Boiling Point 586 °C at 760mmHg
Molecular Weight 383.514 Flash Point 308.2 °C
Transport Information N/A Appearance crystalline solid
Safety Risk Codes R36/37/38
Molecular Structure Molecular Structure of 138890-62-7 (Brinzolamide) Hazard Symbols Xi
Synonyms

2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide,4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (R)-;AL 4862;2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide,4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (4R)-;Brinzolamide (JAN/USP);

Article Data 11

Brinzolamide Synthetic route

C21H29N3O8S4

138890-62-7

brinzolamide

Conditions
ConditionsYield
With sodium thiomethoxide In methanol at 0 - 25℃; for 12h; Reagent/catalyst;83%

C21H29N5O9S4

138890-62-7

brinzolamide

Conditions
ConditionsYield
With sodium tetradecyl mercaptan In methanol at 0 - 25℃; Reagent/catalyst;81%

C11H18N2O8S4

75-04-7

ethylamine

138890-62-7

brinzolamide

Conditions
ConditionsYield
In tetrahydrofuran; water at 0 - 30℃;66.3%

(R)-3,4-dihydro-4-ethylamino-6-chloro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-1,1-dioxide hydrochloride

138890-62-7

brinzolamide

Conditions
ConditionsYield
Stage #1: (R)-3,4-dihydro-4-ethylamino-6-chloro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-1,1-dioxide hydrochloride With sodium hydrogencarbonate
Stage #2: With n-butyllithium In tetrahydrofuran; hexane at -40℃; for 1h;		63%

C20H26N2O9S4

75-04-7

ethylamine

138890-62-7

brinzolamide

Conditions
ConditionsYield
In water at 11 - 20℃; for 15h; enantioselective reaction;61%
Stage #1: C20H26N2O9S4; ethylamine In water at 10 - 12℃; for 15h;
Stage #2: With hydrogenchloride In water at 20℃; for 1h; Temperature;		2.4 g
165117-54-4

(R)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide

75-04-7

ethylamine

138890-62-7

brinzolamide

Conditions
ConditionsYield
Stage #1: (R)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide With zinc(II) tosylate; triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20 - 80℃; for 8h;
Stage #2: ethylamine In tetrahydrofuran at 0 - 20℃; for 36h; Product distribution / selectivity;		49%
Stage #1: (R)-3,4-Dihydro-4-hydroxy-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide With zinc(II) tosylate; triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20 - 80℃;
Stage #2: ethylamine In tetrahydrofuran at 0 - 20℃;
154127-42-1

(S)-3,4-dihydro-4-hydroxy-2(3-methoxypropyl)-4H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide

75-04-7

ethylamine

138890-62-7

brinzolamide

Conditions
ConditionsYield
Stage #1: (S)-3,4-dihydro-4-hydroxy-2(3-methoxypropyl)-4H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide With toluene-4-sulfonic acid; triethylamine In tetrahydrofuran at 0 - 20℃; for 18h;
Stage #2: ethylamine In tetrahydrofuran at 0 - 20℃; for 36h;
Stage #1: (S)-3,4-dihydro-4-hydroxy-2(3-methoxypropyl)-4H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide-1,1-dioxide With triethylamine; p-toluenesulfonyl chloride In tetrahydrofuran at 0 - 20℃; for 18h;
Stage #2: ethylamine In tetrahydrofuran at 0 - 20℃;

C12H19N2O5S3(1-)*Li(1+)

138890-62-7

brinzolamide

Conditions
ConditionsYield
With sodium acetate; hydroxylamine-O-sulfonic acid In hexane at 0 - 20℃; Product distribution / selectivity;
1029324-92-2

(R)-3,4-dihydro-4-(N-ethylamino)-2-(3-methoxy)propyl-2H-thieno[3,2-e]-1,2-thiazine-1,1-dioxide

138890-62-7

brinzolamide

Conditions
ConditionsYield
Stage #1: (R)-3,4-dihydro-4-(N-ethylamino)-2-(3-methoxy)propyl-2H-thieno[3,2-e]-1,2-thiazine-1,1-dioxide With n-butyllithium In tetrahydrofuran; hexane at -60℃; for 8.75h; Inert atmosphere;
Stage #2: With sulfur dioxide In tetrahydrofuran; hexane at -65 - 20℃;
Stage #3: With sodium acetate trihydrate; hydroxylamine-O-sulfonic acid In ethyl acetate at 0 - 20℃;

brinzolamide

138890-62-7

brinzolamide

Conditions
ConditionsYield
With chiral-prep-HPLC (Chiralpak IA0.46x15 cm, 5 umChiral-A (IA)002IA00CD-LF007) Resolution of racemate;

Brinzolamide Chemical Properties

Molecule structure of Brinzolamide (CAS NO.138890-62-7):

IUPAC Name: (4R)-4-(Ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide 
Molecular Weight: 383.50724 g/mol
Molecular Formula: C12H21N3O5S3 
Density: 1.5 g/cm3 
Boiling Point: 586 °C at 760 mmHg 
Flash Point: 308.2 °C
Index of Refraction: 1.625
Molar Refractivity: 90.39 cm3
Molar Volume: 255.3 cm3
Surface Tension: 69.7 dyne/cm 
Enthalpy of Vaporization: 87.53 kJ/mol
Vapour Pressure: 1.03E-13 mmHg at 25 °C
XLogP3-AA: -0.3
H-Bond Donor: 2
H-Bond Acceptor: 8
Rotatable Bond Count: 7
Exact Mass: 383.064333
MonoIsotopic Mass: 383.064333
Topological Polar Surface Area: 119
Heavy Atom Count: 23
Canonical SMILES: CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC
Isomeric SMILES: CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC
InChI: InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
InChIKey: HCRKCZRJWPKOAR-JTQLQIEISA-N
Product Categories: Chiral Reagents;Intermediates & Fine Chemicals;Pharmaceuticals

Brinzolamide Uses

 Brinzolamide (CAS NO.138890-62-7) is used to lower intraocular pressure in patients with open-angle glaucoma or ocular hypertension.

Brinzolamide Specification

 Brinzolamide (CAS NO.138890-62-7) is also named as (R)-4-(Ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno(3,2-e)-1,2-thiazine-6-sulfonamide 1,1-dioxide ; (R)-4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno(3,2-e)-1,2-thiazine-6-sulfonamide ; 2H-Thieno(3,2-e)-1,2-thiazine-6-sulfonamide, 4-(ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-, 1,1-dioxide, (R)- ; AL 4862 ; Azopt ; UNII-9451Z89515 . Brinzolamide (CAS NO.138890-62-7) is crystalline solid. It is a carbonic anhydrase inhibitor.

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