Products for Research Use Only
RegisterLogin

B-3852

CAT: 0013-GTR19209350-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19209350-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
B-3852 is a selective bradykinin inhibitor used in pharmacological research. It is a valuable tool for investigating the kallikrein-kinin system in both in vitro assays and in vivo models of inflammation, pain, and vascular permeability.
CAS Number
117201-47-5
Smiles
C (=O) (N1[C@H] (C (NCC (N[C@@H] (CC2=CC=CC=C2) C (N[C@H] (C (N[C@H] (C (N[C@@H] (CC3=CC=CC=C3) C (NC (CCCNC (=N) N) C (C (F) (F) F) =O) =O) =O) CC4=CC=CC=C4) =O) CO) =O) =O) =O) C[C@@H] (O) C1) [C@H]5N (C ([C@H] (CCCNC (=N) N) N) =O) CCC5
Molecular Formula
C55H74F3N15O11
Molecular Weight
1178.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

B 3852

bradykinin inhibitor

CAS Number117201-47-5
PubChem CID3081658
IUPAC Name(2S,4R)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[6-(diaminomethylideneamino)-1,1,1-trifluoro-2-oxohexan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
Molecular FormulaC55H74F3N15O11
Molecular Weight1178.3
XLogP-0.9
Topological Polar Surface Area428
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count17
Rotatable Bond Count30
Heavy Atom Count84
Formal Charge0
Complexity2290
SMILES
C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)N)C(=O)N2C[C@@H](C[C@H]2C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)C(F)(F)F)O
InChI
InChI=1S/C55H74F3N15O11/c56-55(57,58)45(77)37(20-11-23-65-54(62)63)68-47(79)39(26-33-15-6-2-7-16-33)69-48(80)40(27-34-17-8-3-9-18-34)70-49(81)41(31-74)71-46(78)38(25-32-13-4-1-5-14-32)67-44(76)29-66-50(82)43-28-35(75)30-73(43)52(84)42-21-12-24-72(42)51(83)36(59)19-10-22-64-53(60)61/h1-9,13-18,35-43,74-75H,10-12,19-31,59H2,(H,66,82)(H,67,76)(H,68,79)(H,69,80)(H,70,81)(H,71,78)(H4,60,61,64)(H4,62,63,65)/t35-,36+,37?,38+,39+,40+,41+,42+,43+/m1/s1
InChIKey
VZNNVEYSLFAINP-ZGZDMDBZSA-N
Chemical Structure
2D Structure
2D structure of B 3852
CAS: 117201-47-5
CID: 3081658
Formula: C55H74F3N15O11
MW: 1178.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1178.3
XLogP3-0.9
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count17
Rotatable Bond Count30
Exact Mass1177.56443272
Monoisotopic Mass1177.56443272
Topological Polar Surface Area428 Ų
Heavy Atom Count84
Formal Charge0
Complexity2290
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19166384-01NSC 3852
GTR19319500Influenza B (B/Malaysia)
GTR19009424Asialog. GM2, B.b.
GTR19009421Asialog. GM1, B.b.
GTR19009419Monosialog. GM1, B.b.
GTR19009408Disialog. GD1b, B.b.
GTR19009429Trisialog. GT1b, B.b.
GTR19009427Trisialog. GT1a, B.b.
GTR19009413Monosialog. GM4, B.b.
GTR19009404Disialog. GD3, B.b.

Alternative Products

CatalogName
T71334-01B-3852
A4496-5.1NSC 3852
A15356-200NSC 3852 200mg
A15356-100NSC 3852 100mg
A15356-25NSC 3852 25mg
A15356-50NSC 3852 50mg
SR302607Cytokeratin 5 (KRT5) Human siRNA Oligo Duplex (Locus ID 3852)
TL311831Cytokeratin 5 (KRT5) Human shRNA Plasmid Kit (Locus ID 3852)
TL311831VCytokeratin 5 (KRT5) Human shRNA Lentiviral Particle (Locus ID 3852)
M21468-01Praeruptorin B (b)

Popular Products