GW311616 - ≥99% , CAS No.198062-54-3

CAS: 198062-54-3 Cat. No.: G647148 Molecular Weight: 397.53 PubChem CID: 9800961
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
GW 311616 | L8012V52PN | MS-26715 | PYRROLO(3,2-B)PYRROL-2(1H)-ONE, HEXAHYDRO-3-(1-METHYLETHYL)-1-(METHYLSULFONYL)-4-(1-OXO-4-(1-PIPERIDINYL)-2-BUTENYL)-, (3S-(3.ALPHA.,3A.ALPHA.,4(E),6A.BETA.))- | (3aR,6S,6aS)-4-methylsulfonyl-1-[(E)-4-piperidin-1-ylbut-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
2mg
G647148-2mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$610.90
5mg
G647148-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,100.90
10mg
G647148-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,760.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

GW-311616 is a potent, orally bioavailable, long duration and selective human neutrophil elastase ( HNE ) inhibitor with IC 50 value of 22 nM and K i value of 0.31 nM

In Vitro

GW-311616 (150 μM; 48 hours) markedly suppresses NE activity in U937 and K562 cells lines. GW-311616 (20-320 μM; 48 hours; U937 cells) treatment inhibits proliferation and induces apoptosis in leukemia cells. GW-311616 (150 μM; U937 cells) treatment can increase the protein expression levels of Bax and decrease the expression of Bcl-2. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: U937 and K562 cells Concentration: 150 μM Incubation Time: 48 hours Result: Markedly suppressed NE activity. Apoptosis AnalysisCell Line: U937 cells Concentration: 20 μM, 40 μM, 80 μM, 160 μM, 320 μM Incubation Time: 48 hours Result: The rate of apoptosis was enhanced. Western Blot AnalysisCell Line: U937 cells Concentration: 150 μM Incubation Time: 48 hours Result: Increased the protein expression levels of Bax and decreased the expression of Bcl-2.

In Vivo

GW-311616 (2 mg/kg; oral administration) rapidly abolishes the circulation of neutrophil elastase (NE) in dogs, while >90% inhibition is maintained for 4 days. This prolonged effect is independent to be due to penetration of neutrophils in bone marrow by orally administrated GW-311616. GW-311616 has moderate terminal elimination half-life (t 1/2 ) of 1.1 hours and 1.5 hours for dog (2 mg/kg, oral), rat (2 mg/kg, oral), respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Dogs (9-month-old)Dosage: 0.22 mg/kg, 0.66 mg/kg and 2 mg/kg (Pharmacokinetic study) Administration: Oral administration Result: At 0.22 mg/kg, greater than 50% inhibition of elastase was achieved 6 hours after dosing, with activity returning towards control values. Single oral dose of 2 mg/kg rapidly abolished circulating enzyme activity, and greater than 90% inhibition was maintained for 4 days.

Form:Solid

IC50& Target:IC50: 22 nM (HNE), Ki: 0.31 nM (HNE)

Specifications

Synonyms
GW 311616 | L8012V52PN | MS-26715 | PYRROLO(3, 2-B)PYRROL-2(1H)-ONE, HEXAHYDRO-3-(1-METHYLETHYL)-1-(METHYLSULFONYL)-4-(1-OXO-4-(1-PIPERIDINYL)-2-BUTENYL)-, (3S-(3.ALPHA., 3A.ALPHA., 4(E), 6A.BETA.))- | (3aR, 6S, 6aS)-4-methylsulfonyl-1-[(E)-4-piperidin-1-ylbut-
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
GW-311616 is a potent, orally bioavailable, long duration and selective human neutrophil elastase ( HNE ) inhibitor with IC 50 value of 22 nM and K i value of 0.31 nM.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥99%
Names and Identifiers
Canonical SmilesCC(C)C1C2C(CCN2C(=O)C=CCN3CCCCC3)N(C1=O)S(=O)(=O)C
IUPAC Name(3aR,6S,6aS)-4-methylsulfonyl-1-[(E)-4-piperidin-1-ylbut-2-enoyl]-6-propan-2-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
InChIKeyNDNKNUMSTIMSHQ-URZKGLGPSA-N
INCHI1S/C19H31N3O4S/c1-14(2)17-18-15(22(19(17)24)27(3,25)26)9-13-21(18)16(23)8-7-12-20-10-5-4-6-11-20/h7-8,14-15,17-18H,4-6,9-13H2,1-3H3/b8-7+/t15-,17+,18-/m1/s1
Isomeric SMILES CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)/C=C/CN3CCCCC3)N(C1=O)S(=O)(=O)C
Alternate CAS 198062-54-3
PubChem CID 9800961
MeSH Entry Terms GW 311616;GW311616;GW311616A
Molecular Weight 397.53

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPyrrolidines
SubclassN-acylpyrrolidines
Intermediate Tree Nodes Not available
Direct ParentN-acylpyrrolidines
Alternative Parents Pyrrolidine-2-ones  Piperidines  Tertiary carboxylic acid amides  Sulfonyls  Organosulfonic acids and derivatives  Trialkylamines  Lactams  Amino acids and derivatives  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents N-acylpyrrolidine - Piperidine - Pyrrolidone - 2-pyrrolidone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-acylpyrrolidines. These are n-Acylated Pyrrolidine derivatives. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 66.67 mg/mL (167.71 mM; Need ultrasonic)
Molecular Weight397.500 g/mol
XLogP31.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass397.204 Da
Monoisotopic Mass397.204 Da
Topological Polar Surface Area86.400 Ų
Heavy Atom Count27
Formal Charge0
Complexity707.000
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.