1435488-37-1

• 

• Basic information

  1. Product Name: XMD17 109
  2. Synonyms: XMD17 109;XMD17-109;11-Cyclopentyl-2-[[2-ethoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5,11-dihydro-5-methyl-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one;11-Cyclopentyl-2-[[2-ethoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5,11-dihydro-5-methyl-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one XMD17-109
  3. CAS NO:1435488-37-1
  4. Molecular Formula: C₃₆H₄₆N₈O₃
  5. Molecular Weight: 638.80224
  6. EINECS: 604-604-1
  7. Product Categories: MAPK;Inhibitors
  8. Mol File: 1435488-37-1.mol

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: N/A
  3. Flash Point: N/A
  4. Appearance: /
  5. Density: N/A
  6. Refractive Index: N/A
  7. Storage Temp.: -20°C
  8. Solubility: ≥31.95 mg/mL in DMSO; insoluble in H2O; ≥86.6 mg/mL in EtOH
  9. CAS DataBase Reference: XMD17 109(CAS DataBase Reference)
  10. NIST Chemistry Reference: XMD17 109(1435488-37-1)
  11. EPA Substance Registry System: XMD17 109(1435488-37-1)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 1435488-37-1(Hazardous Substances Data)

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• SDS
• Upstream product
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• XMD17-109

  Cas No: 1435488-37-1

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• 10 Milligram

• Amadis Chemical Co., Ltd.
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• 11-Cyclopentyl-2-[[2-ethoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5,11-dihydro-5-methyl-6H

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• Dayang Chem (Hangzhou) Co.,Ltd.
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• XMD17-109 ERK5-IN-1 cas 1435488-37-1

  Cas No: 1435488-37-1

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• 100 Milligram

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• Taizhou Crene Biotechnology co.ltd
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• 6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 11-cyclopentyl-2-[[2-ethoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5,11-dihydro-5-methyl-

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• Hangzhou J&H Chemical Co., Ltd.
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• 11-cyclopentyl-2-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5-methylpyrimido[4,5-b][1,4]benzodiazepin-6-one

  Cas No: 1435488-37-1

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• Ningbo Syntame Biotech Co.,Ltd
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• XMD17 109

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• Wuhan Circle Star Chem-medical Technology co.,Ltd.
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• XMD17-109 CAS No.1435488-37-1

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• Guangdong Juda Chemical Industrial Co.,Limited
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• Shanghai Yuanye Bio-Technology Co., Ltd.
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1435488-37-1 Usage

Biological Activity

xmd17-109 is a new inhibitor of erk5, ic50 value in hela cell is 0.09 ± 0.03 μm, and in vitro, enzymatic ic50 value is 0.162 ± 0.006 μm.xmd17-109 is capable of inhibiting the erk5 autophosphorylation in cells.[1]through intravenous injection and oral delivery of xmd17-109 in mice, the pharmacokinetic properties of XMD17 109 are as bellows: the t1/2 (half time) is 8.2 h, the plasma clearance is 8.64 ml/min/kg (data of intravenous injection), the auc (area under the curve) of oral delivery is 15745 h*ng/ml and the oral bioavailability is 90%.

references

1. deng, x., et al., structural determinants for erk5 (mapk7) and leucine rich repeat kinase 2 activities of benzo[e]pyrimido-[5,4-b]diazepine-6(11h)-ones. european journal of medicinal chemistry, 2013. 70: p. 758-767.

Check Digit Verification of cas no

The CAS Registry Mumber 1435488-37-1 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,4,3,5,4,8 and 8 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1435488-37:
(9*1)+(8*4)+(7*3)+(6*5)+(5*4)+(4*8)+(3*8)+(2*3)+(1*7)=181
181 % 10 = 1
So 1435488-37-1 is a valid CAS Registry Number.

1435488-37-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name	11-cyclopentyl-2-[2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]anilino]-5-methylpyrimido[4,5-b][1,4]benzodiazepin-6-one

1.2 Other means of identification

Product number	-
Other names	XMD17-109|

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1435488-37-1 SDS

1435488-37-1Upstream product

• 1521197-42-1 C₁₈H₁₉ClN₄O₄ 
• 1521197-86-3 C₁₉H₃₀N₄O₂ 
• 1521197-46-5 2-chloro-11-cyclopentyl-5-methylpyrimido[4,5-b][1,4]benzodiazepin-6-one 
• 1094227-86-7 ethyl 2-(cyclopentylamino)benzoate 

1435488-37-1Downstream Products

1435488-37-1Relevant articles and documents

Structural determinants for ERK5 (MAPK7) and leucine rich repeat kinase 2 activities of benzo[e]pyrimido-[5,4-b]diazepine-6(11H)-ones

Deng, Xianming,Elkins, Jonathan M.,Zhang, Jinwei,Yang, Qingkai,Erazo, Tatiana,Gomez, Nestor,Choi, Hwan Geun,Wang, Jinhua,Dzamko, Nicolas,Lee, Jiing-Dwan,Sim, Taebo,Kim, Namdoo,Alessi, Dario R.,Lizcano, Jose M.,Knapp, Stefan,Gray, Nathanael S.

, p. 758 - 767 (2013)

The benzo[e]pyrimido-[5,4-b]diazepine-6(11H)-one core was discovered as a novel ERK5 (also known as MAPK7 and BMK1) inhibitor scaffold, previously. Further structure-activity relationship studies of this scaffold led to the discovery of ERK5-IN-1 (26) as the most selective and potent ERK5 inhibitor reported to date. 26 potently inhibits ERK5 biochemically with an IC 50 of 0.162 ± 0.006 μM and in cells with a cellular EC 50 for inhibiting epidermal growth factor induced ERK5 autophosphorylation of 0.09 ± 0.03 μM. Furthermore, 26 displays excellent selectivity over other kinases with a KINOMEscan selectivity score (S10) of 0.007, and exhibits exceptional bioavailability (F%) of 90% in mice. 26 will serve as a valuable tool compound to investigate the ERK5 signaling pathway and as a starting point for developing an ERK5 directed therapeutic agent.

PYRIMIDINE SEVEN-MEMBERED-RING COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USES THEREOF

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Paragraph 0198; 0201; 0203, (2019/01/17)

The present invention relates to compounds (I) capable of inhibiting the Mstl/2 protein kinase activity, a preparation method therefor, a pharmaceutical composition comprising the compounds, and uses of the compounds and the pharmaceutical composition comprising the compounds in the preparation of drugs for prompting repair and regeneration of tissues and organs, prompting stem cell proliferation and somatic cell dedifferentiation, immunosuppression, and preventing or treating diseases related to nervous disorders and local ischemia.

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