{4(S)-(Piperidin-1-ylcarbonyl)-4-[3-(trifluoromethyl)phenylsulfonamido] butyl}guanidinium chloride: A model of a graftable thrombin inhibitor

Catherine Michaux, Claudio Salvagnini, Bernadette Norberg, Jacqueline Marchand-Brynaert, Johan Wouters

Résultats de recherche: Contribution à un journal/une revueArticle

Résumé

In the title compound, C18H27F3N 5O3S+·Cl-, the guanidine group forms N-H⋯Cl hydrogen bonds, with four N⋯Cl distances in the range 3.164 (3)-3.337 (4) Å. In the crystal packing, the cations are further linked by N-H⋯O and C-H⋯O interactions. The structure is compared with that of argatroban complexed with thrombin and is the subject of docking studies in the active site of thrombin.

langueAnglais
Pageso691-o693
journalActa Crystallographica Section C: Crystal Structure Communications
Volume62
Numéro12
Les DOIs
étatPublié - 1 déc. 2006

Empreinte digitale

thrombin
inhibitors
chlorides
Thrombin
(4-(piperidin-1-ylcarbonyl)-4-(3-(trifluoromethyl)phenylsulfonamido)butyl)guanidinium
Guanidine
guanidines
hydrogen bonds
cations
crystals
interactions
Cations
Hydrogen
Catalytic Domain
argatroban
Hydrogen bonds
Crystals

Citer ceci

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abstract = "In the title compound, C18H27F3N 5O3S+·Cl-, the guanidine group forms N-H⋯Cl hydrogen bonds, with four N⋯Cl distances in the range 3.164 (3)-3.337 (4) \{AA}. In the crystal packing, the cations are further linked by N-H⋯O and C-H⋯O interactions. The structure is compared with that of argatroban complexed with thrombin and is the subject of docking studies in the active site of thrombin.",
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{4(S)-(Piperidin-1-ylcarbonyl)-4-[3-(trifluoromethyl)phenylsulfonamido] butyl}guanidinium chloride : A model of a graftable thrombin inhibitor. / Michaux, Catherine; Salvagnini, Claudio; Norberg, Bernadette; Marchand-Brynaert, Jacqueline; Wouters, Johan.

Dans: Acta Crystallographica Section C: Crystal Structure Communications, Vol 62, Numéro 12, 01.12.2006, p. o691-o693.

Résultats de recherche: Contribution à un journal/une revueArticle

TY - JOUR

T1 - {4(S)-(Piperidin-1-ylcarbonyl)-4-[3-(trifluoromethyl)phenylsulfonamido] butyl}guanidinium chloride

T2 - Acta Crystallographica Section C: Crystal Structure Communications

AU - Michaux,Catherine

AU - Salvagnini,Claudio

AU - Norberg,Bernadette

AU - Marchand-Brynaert,Jacqueline

AU - Wouters,Johan

PY - 2006/12/1

Y1 - 2006/12/1

N2 - In the title compound, C18H27F3N 5O3S+·Cl-, the guanidine group forms N-H⋯Cl hydrogen bonds, with four N⋯Cl distances in the range 3.164 (3)-3.337 (4) Å. In the crystal packing, the cations are further linked by N-H⋯O and C-H⋯O interactions. The structure is compared with that of argatroban complexed with thrombin and is the subject of docking studies in the active site of thrombin.

AB - In the title compound, C18H27F3N 5O3S+·Cl-, the guanidine group forms N-H⋯Cl hydrogen bonds, with four N⋯Cl distances in the range 3.164 (3)-3.337 (4) Å. In the crystal packing, the cations are further linked by N-H⋯O and C-H⋯O interactions. The structure is compared with that of argatroban complexed with thrombin and is the subject of docking studies in the active site of thrombin.

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U2 - 10.1107/S0108270106047640

DO - 10.1107/S0108270106047640

M3 - Article

VL - 62

SP - o691-o693

JO - Acta Crystallographica Section C: Crystal Structure Communications

JF - Acta Crystallographica Section C: Crystal Structure Communications

SN - 0108-2701

IS - 12

ER -